1.0 2016-09-30 22:37:40 UTC 2020-04-22 15:05:39 UTC BMDB0000860 BMDB00860 Phenylpropionylglycine 2-[(1-Hydroxy-3-phenylpropylidene)amino]acetate (3-Phenyl-propionylamino)-acetate (3-Phenyl-propionylamino)-acetic acid (3-Phenylpropionyl)glycine N-(3-Phenyl-propionyl)-glycine N-(3-Phenylpropanoyl)glycine 3-Phenylpropionylglycine C11H13NO3 207.2258 207.089543287 2-(3-phenylpropanamido)acetic acid phenylpropionylglycine 56613-60-6 OC(=O)CNC(=O)CCC1=CC=CC=C1 InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15) YEIQSAXUPKPPBN-UHFFFAOYSA-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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-alpha amino acids Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Fatty amides Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Aromatic homomonocyclic compounds Solid logp 0.93 ALOGPS logs -2.92 ALOGPS logp 0.95 ChemAxon pka_strongest_acidic 4 ChemAxon pka_strongest_basic -2.1 ChemAxon iupac 2-(3-phenylpropanamido)acetic acid ChemAxon average_mass 207.2258 ChemAxon mono_mass 207.089543287 ChemAxon smiles OC(=O)CNC(=O)CCC1=CC=CC=C1 ChemAxon formula C11H13NO3 ChemAxon inchi InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15) ChemAxon inchikey YEIQSAXUPKPPBN-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 54.77 ChemAxon polarizability 21.47 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1514 Specdb::MsIr 3 Specdb::MsIr 15 Specdb::MsIr 920 Specdb::MsIr 921 Specdb::MsIr 922 Specdb::NmrOneD 1572 Specdb::MsMs 1214 Specdb::MsMs 1215 Specdb::MsMs 1216 Specdb::MsMs 307018 Specdb::MsMs 307019 Specdb::MsMs 307020 Specdb::MsMs 350851 Specdb::MsMs 350852 Specdb::MsMs 350853 Specdb::MsMs 2236039 Specdb::MsMs 2237360 Specdb::MsMs 2238088 Specdb::MsMs 2316731 Specdb::MsMs 2316732 Specdb::MsMs 2316733 Specdb::MsMs 2621873 Specdb::MsMs 2621874 Specdb::MsMs 2621875 Specdb::CMs 18505 Specdb::CMs 37810 Specdb::CMs 173726 Specdb::CMs 1080364 Specdb::CMs 1080366 Specdb::CMs 1080368 FDB022286 152323 134261 266653 5823 Geurts, Muriel; Poupaert, Jacques H.; Scriba, Gerhard K. E.; Lambert, Didier M. N-(Benzyloxycarbonyl)glycine Esters and Amides as New Anticonvulsants. Journal of Medicinal Chemistry (1998), 41(1), 24-30.