1.0 2016-10-03 18:14:08 UTC 2020-04-22 15:43:06 UTC BMDB0011176 BMDB11176 L-phenylalanyl-L-hydroxyproline 1-(2-Amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylate C14H18N2O4 278.3037 278.126657074 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid NC(CC1=CC=CC=C1)C(=O)N1CC(O)CC1C(O)=O InChI=1S/C14H18N2O4/c15-11(6-9-4-2-1-3-5-9)13(18)16-8-10(17)7-12(16)14(19)20/h1-5,10-12,17H,6-8,15H2,(H,19,20) WJSNJMXOBDSZDL-UHFFFAOYSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Alpha amino acid amides Amino acids Amphetamines and derivatives Aralkylamines Azacyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Proline and derivatives Pyrrolidine carboxylic acids Secondary alcohols Tertiary carboxylic acid amides Alcohol Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aralkylamine Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Secondary alcohol Tertiary carboxylic acid amide Aromatic heteromonocyclic compounds Solid logp -1.70 ALOGPS logs -2.01 ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 3.59 ChemAxon pka_strongest_basic 8 ChemAxon iupac 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid ChemAxon average_mass 278.3037 ChemAxon mono_mass 278.126657074 ChemAxon smiles NC(CC1=CC=CC=C1)C(=O)N1CC(O)CC1C(O)=O ChemAxon formula C14H18N2O4 ChemAxon inchi InChI=1S/C14H18N2O4/c15-11(6-9-4-2-1-3-5-9)13(18)16-8-10(17)7-12(16)14(19)20/h1-5,10-12,17H,6-8,15H2,(H,19,20) ChemAxon inchikey WJSNJMXOBDSZDL-UHFFFAOYSA-N ChemAxon polar_surface_area 103.86 ChemAxon refractivity 71.42 ChemAxon polarizability 27.74 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 11787 Specdb::CMs 39586 Specdb::MsMs 292027 Specdb::MsMs 292028 Specdb::MsMs 292029 Specdb::MsMs 332113 Specdb::MsMs 332114 Specdb::MsMs 332115 FDB027948 53480675