1.0 2016-06-03 12:18:24 UTC 2026-05-14 19:14:09 UTC (2S)-5-amino-2-{[(2S)-2-aminopropanoyl]amino}-5-oxopentanoic acid SmallMolecule (2S)-5-amino-2-{[(2S)-2-aminopropanoyl]amino}-5-oxopentanoic 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 C8H15N3O4 and an average molecular weight of 217.22 g/mol. In industrial applications, the substance serves several roles, functioning as a humectant, a softener and conditioner, and as a flavouring and nutrient. It has been identified in four recorded sources, including drinking water and water supply (drinking water), food, food processing and cookware (processing meats), and electrical and electronic equipment, specifically antennas and line transmission systems. The recorded exposure route for this compound is oral. C8H15N3O4 217.225 217.106255975 (2S)-2-[(2S)-2-aminopropanamido]-4-carbamoylbutanoic acid (2S)-2-[(2S)-2-aminopropanamido]-4-carbamoylbutanoic acid 39537-23-0 [H][C@@](C)(N)C(O)=N[C@@]([H])(CCC(O)=N)C(O)=O InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1 HJCMDXDYPOUFDY-WHFBIAKZSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptides Amino acids Carbonyl compounds Carboximidic acids Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Fatty acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Aliphatic acyclic compounds dipeptide Detected and Not Quantified logp -4.5 logp -3.15 ALOGPS logs -1.23 ALOGPS solubility 1.27e+01 g/l ALOGPS logp -4.5 ChemAxon pka_strongest_acidic 3.57 ChemAxon pka_strongest_basic 8.39 ChemAxon iupac (2S)-2-[(2S)-2-aminopropanamido]-4-carbamoylbutanoic acid ChemAxon average_mass 217.225 ChemAxon mono_mass 217.106255975 ChemAxon smiles [H][C@@](C)(N)C(O)=N[C@@]([H])(CCC(O)=N)C(O)=O ChemAxon formula C8H15N3O4 ChemAxon inchi InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1 ChemAxon inchikey HJCMDXDYPOUFDY-WHFBIAKZSA-N ChemAxon polar_surface_area 135.51 ChemAxon refractivity 50.41 ChemAxon polarizability 20.84 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bcfc46ff0> DB11876 123935 110464