(2s)-2-amino-3-(4-nitrophenyl)propanoic acid (CED0028925)

Record Information
Version1.0
Creation Date2026-08-25 07:39:56 UTC
Update Date2026-08-25 07:39:56 UTC
Accession NumberCHEM261562
Identification
Common Name(2s)-2-amino-3-(4-nitrophenyl)propanoic acid
ClassSmall Molecule
Description
(2s)-2-amino-3-(4-nitrophenyl)propanoic acid is an organic compound with the chemical formula C9H10N2O4 and an average molecular weight of 210.19 g/mol. (2s)-2-amino-3-(4-nitrophenyl)propanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been identified in or released from six recorded sources across various sectors. In the context of food, food processing, and cookware, it is associated with the preparation of wort, the preparation of malt, and fermentation processes for beer. Additionally, it is found in building and construction materials, specifically in stairs and ramps. The compound is also linked to electrical and electronic equipment, including television systems and electrically stimulated smoking devices.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC9H10N2O4
Average Molecular Mass210.190 g/mol
Monoisotopic Mass210.064 g/mol
CAS Registry Number949-99-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
InChI KeyGTVVZTAFGPQSPC-QMMMGPOBSA-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2053.0Log mg/kg[1200:3700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
500Stairs And RampsBuilding & ConstructionNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureTyrosine 3-monooxygenaseP04177Rattus norvegicusPredicted (SEA)0.155698
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)0.311397
Click to view 3D structureHydroxyacylglutathione hydrolase, mitochondrialO35952Rattus norvegicusPredicted (SEA)0.311397
Solute carrier family 15 member 1 structureClick to view 3D structureSolute carrier family 15 member 1P46059HumansPredicted (SEA)4.82665
Click to view 3D structureGlutamate racemaseQ03469Lactobacillus fermentumPredicted (SEA)1.63483
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P42262HumansPredicted (SEA)1.32344
Click to view 3D structureVoltage-dependent calcium channel subunit alpha-2/delta-1O08532Mus musculusPredicted (SEA)0.622794
Metabotropic glutamate receptor 4 structureClick to view 3D structureMetabotropic glutamate receptor 4Q14833HumansPredicted (SEA)11.8331
Click to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)2.41333
Metabotropic glutamate receptor 8 structureClick to view 3D structureMetabotropic glutamate receptor 8O00222HumansPredicted (SEA)2.80257
Click to view 3D structurePatatin-like phospholipase domain-containing protein 6Q3TRM4Mus musculusPredicted (SEA)7.16213
Serine racemase structureClick to view 3D structureSerine racemaseQ9GZT4HumansPredicted (SEA)4.35956
Click to view 3D structureGlutamate receptor 1P19490Rattus norvegicusPredicted (SEA)6.07224
Alkaline phosphatase, tissue-nonspecific isozyme structureClick to view 3D structureAlkaline phosphatase, tissue-nonspecific isozymeP05186HumansPredicted (SEA)2.88042
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)2.10193
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)3.89246
Click to view 3D structureIntestinal-type alkaline phosphataseP09923HumansPredicted (SEA)3.34752
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)203.576
Click to view 3D structureGlutamate receptor 2P19491Rattus norvegicusPredicted (SEA)1.08989
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)74.5796
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P42261HumansPredicted (SEA)4.35956
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)2.88042
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)86.0234
Click to view 3D structureGlutamate receptor 4P48058HumansPredicted (SEA)2.02408
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)707.494
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available