1.0 2011-09-21 01:32:28 UTC 2015-07-21 06:59:17 UTC FDB027951 L-Prolyl-L-phenylalanine A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB] Pro-Phe Prolylyphenylalanine C14H18N2O3 262.3043 262.131742452 3-phenyl-2-(pyrrolidin-2-ylformamido)propanoic acid pro-phe OC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1 InChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19) IWIANZLCJVYEFX-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. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds Alpha amino acid amides Amino acids Amphetamines and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Proline and derivatives Pyrrolidinecarboxamides Secondary carboxylic acid amides 3-phenylpropanoic-acid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives 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 Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalanine or derivatives Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary aliphatic amine Secondary amine Secondary carboxylic acid amide Solid logp -1.26 ALOGPS logs -2.56 ALOGPS solubility 7.29e-01 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 3.78 ChemAxon pka_strongest_basic 9.81 ChemAxon iupac 3-phenyl-2-(pyrrolidin-2-ylformamido)propanoic acid ChemAxon average_mass 262.3043 ChemAxon mono_mass 262.131742452 ChemAxon smiles OC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1 ChemAxon formula C14H18N2O3 ChemAxon inchi InChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19) ChemAxon inchikey IWIANZLCJVYEFX-UHFFFAOYSA-N ChemAxon polar_surface_area 78.43 ChemAxon refractivity 69.98 ChemAxon polarizability 27.5 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15888 Specdb::CMs 39589 Specdb::MsMs 301189 Specdb::MsMs 301190 Specdb::MsMs 301191 Specdb::MsMs 343651 Specdb::MsMs 343652 Specdb::MsMs 343653 HMDB11179 #<Reference:0x000055ce31d40260>