1.0 2016-10-03 18:14:10 UTC 2020-04-22 15:43:07 UTC BMDB0011178 BMDB11178 L-prolyl-L-glycine pro-Gly 2-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}acetate Prolylglycine L-Prolylglycine C7H12N2O3 172.1818 172.08479226 2-(pyrrolidin-2-ylformamido)acetic acid (pyrrolidin-2-ylformamido)acetic acid OC(=O)CNC(=O)C1CCCN1 InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11) RNKSNIBMTUYWSH-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 Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Proline and derivatives Pyrrolidinecarboxamides Secondary carboxylic acid amides Aliphatic heteromonocyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Azacycle Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives 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 Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary aliphatic amine Secondary amine Secondary carboxylic acid amide Aliphatic heteromonocyclic compounds Solid logp -2.89 ALOGPS logs -1.40 ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 3.66 ChemAxon pka_strongest_basic 9.81 ChemAxon iupac 2-(pyrrolidin-2-ylformamido)acetic acid ChemAxon average_mass 172.1818 ChemAxon mono_mass 172.08479226 ChemAxon smiles OC(=O)CNC(=O)C1CCCN1 ChemAxon formula C7H12N2O3 ChemAxon inchi InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11) ChemAxon inchikey RNKSNIBMTUYWSH-UHFFFAOYSA-N ChemAxon polar_surface_area 78.43 ChemAxon refractivity 40.87 ChemAxon polarizability 17.07 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 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::CMs 11420 Specdb::CMs 39588 Specdb::MsMs 24614 Specdb::MsMs 24615 Specdb::MsMs 24616 Specdb::MsMs 31172 Specdb::MsMs 31173 Specdb::MsMs 31174 Specdb::NmrOneD 328212 Specdb::NmrOneD 328213 Specdb::NmrOneD 328214 Specdb::NmrOneD 328215 Specdb::NmrOneD 328216 Specdb::NmrOneD 328217 Specdb::NmrOneD 328218 Specdb::NmrOneD 328219 Specdb::NmrOneD 328220 Specdb::NmrOneD 328221 Specdb::NmrOneD 328222 Specdb::NmrOneD 328223 Specdb::NmrOneD 328224 Specdb::NmrOneD 328225 Specdb::NmrOneD 328226 Specdb::NmrOneD 328227 Specdb::NmrOneD 328228 Specdb::NmrOneD 328229 Specdb::NmrOneD 328230 Specdb::NmrOneD 328231 FDB027950 98206