(2s)-5-amino-2-[3-aminopropyl(dodecyl)amino]-5-oxopentanoic acid (CED0275703)

Record Information
Version1.0
Creation Date2026-08-30 02:40:06 UTC
Update Date2026-08-30 02:40:06 UTC
Accession NumberCHEM320953
Identification
Common Name(2s)-5-amino-2-[3-aminopropyl(dodecyl)amino]-5-oxopentanoic acid
ClassSmall Molecule
Description
(2s)-5-amino-2-[3-aminopropyl(dodecyl)amino]-5-oxopentanoic acid is a compound with the formula C20H41N3O3. It has an average molecular weight of 371.60 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H41N3O3
Average Molecular MassNot Available
Monoisotopic Mass371.315 g/mol
CAS Registry Number221389-16-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCN(CCCN)C(CCC(=O)N)C(=O)O
InChI IdentifierInChI=1S/C20H41N3O3/c1-2-3-4-5-6-7-8-9-10-11-16-23(17-12-15-21)18(20(25)26)13-14-19(22)24/h18H,2-17,21H2,1H3,(H2,22,24)(H,25,26)/t18-/m0/s1
InChI KeyJKQIRCYJESXZOC-SFHVURJKSA-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
4031.0Log mg/kg[2300:7200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)48.2665
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)13.8572
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)53.716
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)73.5675
Click to view 3D structureUDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligaseQ5HMD9Staphylococcus epidermidis (strain ATCC 35984 / RP62A)Predicted (SEA)2.17978
Palmitoyltransferase ZDHHC20 structureClick to view 3D structurePalmitoyltransferase ZDHHC20Q5W0Z9HumansPredicted (SEA)0.700643
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)4.28171
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)176.406
Click to view 3D structureSodium- and chloride-dependent GABA transporter 2P31646Rattus norvegicusPredicted (SEA)1.79053
Click to view 3D structurePalmitoyltransferase ZDHHC2Q9UIJ5HumansPredicted (SEA)2.64687
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)12.2223
Click to view 3D structurePutative inactive group IIC secretory phospholipase A2Q5R387HumansPredicted (SEA)6.92858
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)344.872
Phospholipase C structureClick to view 3D structurePhospholipase CP09598Bacillus cereusPredicted (SEA)11.7552
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)116.852
Phospholipase A2, membrane associated structureClick to view 3D structurePhospholipase A2, membrane associatedP14555HumansPredicted (SEA)56.285
Toll-like receptor 2 structureClick to view 3D structureToll-like receptor 2O60603HumansPredicted (SEA)6.69503
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)471.688
Click to view 3D structurePalmitoyltransferase ZDHHC7Q9NXF8HumansPredicted (SEA)4.9045
Click to view 3D structureToll-like receptor 2Q9QUN7Mus musculusPredicted (SEA)27.0915
Click to view 3D structureAlkaline ceramidase 2Q5QJU3HumansPredicted (SEA)79.017
Click to view 3D structureGlutathionylspermidine synthaseP90518Crithidia fasciculataPredicted (SEA)58.9319
Click to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)21.4085
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)13.935
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)31.6068
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available