1.0 2016-10-03 18:14:09 UTC 2020-04-22 15:43:07 UTC BMDB0011177 BMDB11177 L-phenylalanyl-L-proline Phenylalanylproline, also known as FP or L-phe-L-pro, 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. Phenylalanylproline is possibly soluble (in water) and a very strong basic compound (based on its pKa). FP L-Phe-L-pro 1-(3-Phenyl-L-alanyl)-proline 1-L-Phenylalanyl-L-proline F-p Dipeptide FP Dipeptide L-1-(3-Phenyl-L-alanyl)-proline L-Phenylalanyl-L-proline Phe-pro Phenylalanine proline dipeptide Phenylalanine-proline dipeptide Phenylalanyl-proline Phenylalanylproline C14H18N2O3 262.309 262.131742448 (2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid (2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid 7669-65-0 N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(O)=O InChI=1S/C14H18N2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/t11-,12-/m0/s1 WEQJQNWXCSUVMA-RYUDHWBXSA-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 acid salts Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Proline and derivatives Pyrrolidine carboxylic acids Tertiary carboxylic acid amides 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 Carboxylic acid salt Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion 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 Tertiary carboxylic acid amide Aromatic heteromonocyclic compounds dipeptide Solid logp -0.15 ALOGPS logs -2.10 ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 3.72 ChemAxon pka_strongest_basic 8 ChemAxon iupac (2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid ChemAxon average_mass 262.309 ChemAxon mono_mass 262.131742448 ChemAxon smiles N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(O)=O ChemAxon formula C14H18N2O3 ChemAxon inchi InChI=1S/C14H18N2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/t11-,12-/m0/s1 ChemAxon inchikey WEQJQNWXCSUVMA-RYUDHWBXSA-N ChemAxon polar_surface_area 83.63 ChemAxon refractivity 70.1 ChemAxon polarizability 26.78 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 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 153897 Specdb::MsMs 1246390 Specdb::MsMs 1246391 Specdb::MsMs 1246392 Specdb::MsMs 1361737 Specdb::MsMs 1361738 Specdb::MsMs 1361739 Specdb::MsMs 2809493 Specdb::MsMs 2809494 Specdb::MsMs 2809495 Specdb::MsMs 2898894 Specdb::MsMs 2898895 Specdb::MsMs 2898896 Specdb::NmrOneD 93212 Specdb::NmrOneD 93213 Specdb::NmrOneD 93214 Specdb::NmrOneD 93215 Specdb::NmrOneD 93216 Specdb::NmrOneD 93217 Specdb::NmrOneD 93218 Specdb::NmrOneD 93219 Specdb::NmrOneD 93220 Specdb::NmrOneD 93221 Specdb::NmrOneD 93222 Specdb::NmrOneD 93223 Specdb::NmrOneD 93224 Specdb::NmrOneD 93225 Specdb::NmrOneD 93226 Specdb::NmrOneD 93227 Specdb::NmrOneD 93228 Specdb::NmrOneD 93229 Specdb::NmrOneD 93230 Specdb::NmrOneD 93231 Milk Commercial milk, by CIL LC-MS Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. 28306241 FDB111640 5383590 7020641 74750 Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. 28306241