1.0 2020-04-03 17:05:05 UTC 2020-04-03 17:05:06 UTC FDB098374 4-Oxoproline 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. Proline and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds 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 a small molecule alpha-amino-acid anion logp -1.33 ALOGPS logs 0.49 ALOGPS solubility 4.47e+02 g/l 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 Specdb::MsMs 1372282 Specdb::MsMs 1372283 Specdb::MsMs 1372284 Milk (Cow) Type 2 specific