2-[[(2s)-1-[(2s)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid (CED0158133)

Record Information
Version1.0
Creation Date2026-08-18 02:11:49 UTC
Update Date2026-08-18 02:11:49 UTC
SynCED IDCED0158133
Secondary Accession Numbers
  • CHEM148396
Identification
Common Name2-[[(2s)-1-[(2s)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
ClassSmall Molecule
Description
2-[[(2s)-1-[(2s)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C10H17N3O4 and an average molecular weight of 243.26 g/mol. It is identified as being found in or released from two recorded sources related to food, food processing and cookware, specifically in the preparation of vinegar and the preparation of wort.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC10H17N3O4
Average Molecular Mass243.260 g/mol
Monoisotopic Mass243.122 g/mol
CAS Registry Number36301-96-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C10H17N3O4/c1-6(11)10(17)13-4-2-3-7(13)9(16)12-5-8(14)15/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15)/t6-,7-/m0/s1
InChI KeyUGTHTQWIQKEDEH-BQBZGAKWSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1454.0 Log mg/kg [820:2600]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementNot Available
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwareNot Available
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwareNot Available
CEDs000548Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.Food, food processing & cookwareNot Available
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwareNot Available
CEDs000550Preparation Of Wort?The preparation of wort involves the extraction of sugars from malted grains, a crucial step in the brewing process.Food, food processing & cookwareNot Available
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwareNot Available
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsNot Available
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsNot Available
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsNot Available
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingNot Available
CEDs000601Lawn Mowers?Lawn mowers, particularly those powered by gasoline, can be a source of synthetic chemical contamination due to the combustion of fossil fuels and the use of engine oils.Agriculture & land managementNot Available
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementNot Available
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementNot Available
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsNot Available
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsNot Available
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsNot Available
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsNot Available
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsNot Available
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsNot Available
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesNot Available
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsNot Available
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.Textiles, leather & furnishingsNot Available
CEDs000664Fire Fighting Gels?Fire fighting gels are synthetic chemical formulations designed to enhance fire suppression effectiveness by creating a protective barrier against heat and flames.Fire suppression systems & agentsNot Available
CEDs000669PFAS Fire Fighting Foam?PFAS fire fighting foam refers to a class of synthetic foams containing per- and polyfluoroalkyl substances (PFAS), which are designed to suppress flammable liquid fires.Fire suppression systems & agentsNot Available
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionNot Available
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionNot Available
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)
Prediction Confidence Score
0.381
Applicability Domain
0.457
Statistical Significance
0.0028
Supporting Reference Compounds
46
E-value
21.6421
Xaa-Pro dipeptidase structureClick to view 3D structureXaa-Pro dipeptidaseP12955HumansPredicted (SEA)
Prediction Confidence Score
0.381
Applicability Domain
0.415
Statistical Significance
7.90e-04
Supporting Reference Compounds
15
E-value
6.15009
Click to view 3D structureAngiotensin-converting enzymeP12822Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.457
Statistical Significance
0.0015
Supporting Reference Compounds
26
E-value
11.5995
Click to view 3D structureAngiotensin-converting enzymeP47820Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.371
Applicability Domain
0.457
Statistical Significance
0.0012
Supporting Reference Compounds
24
E-value
9.18621
Click to view 3D structureXaa-Pro aminopeptidase 2O43895HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.386
Statistical Significance
5.40e-04
Supporting Reference Compounds
7
E-value
4.20386
Dipeptidyl peptidase 4 structureClick to view 3D structureDipeptidyl peptidase 4P27487HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.418
Statistical Significance
0.0037
Supporting Reference Compounds
129
E-value
28.4928
Xaa-Pro aminopeptidase 1 structureClick to view 3D structureXaa-Pro aminopeptidase 1Q9NQW7HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.386
Statistical Significance
0.0018
Supporting Reference Compounds
13
E-value
14.4021
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.457
Statistical Significance
0.0179
Supporting Reference Compounds
331
E-value
139.194
Click to view 3D structureXaa-Pro aminopeptidase 2Q99MA2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.386
Statistical Significance
0.0012
Supporting Reference Compounds
7
E-value
9.57545
Click to view 3D structureIgA-specific serine endopeptidase autotransporterP09790Neisseria gonorrhoeaePredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.345
Statistical Significance
5.60e-04
Supporting Reference Compounds
1
E-value
4.35956
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.353
Statistical Significance
0.0308
Supporting Reference Compounds
229
E-value
239.931
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.353
Statistical Significance
0.0263
Supporting Reference Compounds
164
E-value
204.51
Click to view 3D structureSubstance-P receptorP14600Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.458
Statistical Significance
0.015
Supporting Reference Compounds
34
E-value
116.93
Click to view 3D structureUncharacterized proteinF1N083Bos taurusPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.338
Statistical Significance
0.007
Supporting Reference Compounds
1
E-value
54.5723
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.353
Statistical Significance
0.0288
Supporting Reference Compounds
166
E-value
224.517
Click to view 3D structureCytosol aminopeptidaseP28838HumansPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.386
Statistical Significance
0.003
Supporting Reference Compounds
18
E-value
23.3548
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.343
Statistical Significance
0.0432
Supporting Reference Compounds
527
E-value
335.997
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.343
Statistical Significance
0.0308
Supporting Reference Compounds
186
E-value
240.087
Dipeptidyl peptidase 8 structureClick to view 3D structureDipeptidyl peptidase 8Q6V1X1HumansPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.367
Statistical Significance
0.0023
Supporting Reference Compounds
57
E-value
18.2946
Dipeptidyl peptidase 2 structureClick to view 3D structureDipeptidyl peptidase 2Q9UHL4HumansPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.367
Statistical Significance
0.0017
Supporting Reference Compounds
41
E-value
13.6236
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.343
Statistical Significance
0.0436
Supporting Reference Compounds
427
E-value
339.734
Dipeptidyl peptidase 9 structureClick to view 3D structureDipeptidyl peptidase 9Q86TI2HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.367
Statistical Significance
0.0026
Supporting Reference Compounds
55
E-value
20.3186
Prolyl endopeptidase FAP structureClick to view 3D structureProlyl endopeptidase FAPQ12884HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.367
Statistical Significance
0.0023
Supporting Reference Compounds
41
E-value
18.2167
Succinyl-diaminopimelate desuccinylase structureClick to view 3D structureSuccinyl-diaminopimelate desuccinylaseP44514Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)Predicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.457
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Neprilysin structureClick to view 3D structureNeprilysinP08049Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.457
Statistical Significance
0.0098
Supporting Reference Compounds
34
E-value
76.1365
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available