1.0 2018-07-17 17:47:40 UTC 2020-03-13 17:36:40 UTC BMDB0062541 BMDB62541 4-Oxoproline 4-Oxoproline belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 4-Oxoproline is possibly soluble (in water) and a very strong basic compound (based on its pKa). 4-Oxoprolinic acid 4-Ketoproline, (L)-isomer 4-Ketoproline 4-oxo-L-Proline C5H6NO3 128.108 128.035316637 4-oxopyrrolidine-2-carboxylate 4-oxoprolinate [O-]C(=O)C1CC(=O)CN1 InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)/p-1 HFXAFXVXPMUQCQ-UHFFFAOYSA-M belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Proline and derivatives Alpha amino acids Amino acids Azacyclic compounds Carboxylic acids Cyclic ketones Dialkylamines Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic anions Organic oxides Organopnictogen compounds Oxoprolines Pyrrolidine carboxylic acids Pyrrolidine-3-ones 3-pyrrolidone Aliphatic heteromonocyclic compound Alpha-amino acid Amine Amino acid Azacycle Carbonyl group Carboxylic acid Cyclic ketone Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic anion Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxoproline Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Pyrrolidone Secondary aliphatic amine Secondary amine Aliphatic heteromonocyclic compounds a small molecule alpha-amino-acid anion logp -1.33 ALOGPS logs 0.49 ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 2.48 ChemAxon pka_strongest_basic 6.8 ChemAxon iupac 4-oxopyrrolidine-2-carboxylate ChemAxon average_mass 128.108 ChemAxon mono_mass 128.035316637 ChemAxon smiles [O-]C(=O)C1CC(=O)CN1 ChemAxon formula C5H6NO3 ChemAxon inchi InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)/p-1 ChemAxon inchikey HFXAFXVXPMUQCQ-UHFFFAOYSA-M ChemAxon polar_surface_area 69.23 ChemAxon refractivity 39.14 ChemAxon polarizability 11.19 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge -1 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::MsMs 1372282 Specdb::MsMs 1372283 Specdb::MsMs 1372284 Milk By UPLC-Q-TOF Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 FDB098374 26331290 25200726 58670 Pyroglutamic acid Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828