1.0 2010-04-08 22:13:52 UTC 2019-11-26 03:16:30 UTC FDB018688 D-N-(Carboxyacetyl)alanine Isolated from seedlings of Pisum sativum (pea). D-N-(Carboxyacetyl)alanine is found in pulses and common pea. N-(Carboxyacetyl)alanine, 9CI; D-form C6H9NO5 175.1394 175.048072403 (2R)-2-[(2-carboxy-1-hydroxyethylidene)amino]propanoic acid (2R)-2-[(2-carboxy-1-hydroxyethylidene)amino]propanoic acid 19764-27-3 [H][C@](C)(NC(=O)CC(O)=O)C(O)=O InChI=1S/C6H9NO5/c1-3(6(11)12)7-4(8)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t3-/m1/s1 AZKKNWAHCAZDCU-GSVOUGTGSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-acyl-alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds 1,3-dicarbonyl compounds Alanine and derivatives Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides 1,3-dicarbonyl compound Alanine or derivatives Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Hydrocarbon derivative N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide logp -0.56 ALOGPS logs -1.33 ALOGPS solubility 8.13e+00 g/l ALOGPS melting_point Mp 138-140° logp -0.048 ChemAxon pka_strongest_acidic 3.19 ChemAxon pka_strongest_basic 0.69 ChemAxon iupac (2R)-2-[(2-carboxy-1-hydroxyethylidene)amino]propanoic acid ChemAxon average_mass 175.1394 ChemAxon mono_mass 175.048072403 ChemAxon smiles [H][C@](C)(NC(=O)CC(O)=O)C(O)=O ChemAxon formula C6H9NO5 ChemAxon inchi InChI=1S/C6H9NO5/c1-3(6(11)12)7-4(8)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t3-/m1/s1 ChemAxon inchikey AZKKNWAHCAZDCU-GSVOUGTGSA-N ChemAxon polar_surface_area 107.19 ChemAxon refractivity 36.81 ChemAxon polarizability 15.35 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon HMDB39163 #<Reference:0x000055ce31753640> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic