1.0 2020-04-06 11:03:38 UTC 2025-11-19 03:10:30 UTC FDB111659 4-Hydroxystachydrine C7H13NO3 159.183 159.089543287 (2R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate (2R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate [H]OC1C[C@H](C([O-])=O)[N+](C)(C)C1 InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5?,6-/m1/s1 MUNWAHDYFVYIKH-PRJDIBJQSA-N 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 1,2-aminoalcohols Azacyclic compounds Carbonyl compounds Carboxylic acid salts Carboxylic acids D-alpha-amino acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-alkylpyrrolidines Organic oxides Organic salts Organopnictogen compounds Pyrrolidine carboxylic acids Secondary alcohols Tetraalkylammonium salts 1,2-aminoalcohol Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid Amine Azacycle Carbonyl group Carboxylic acid Carboxylic acid salt D-alpha-amino acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-alkylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Quaternary ammonium salt Secondary alcohol Tetraalkylammonium salt logp -1.54 ALOGPS logs -1.24 ALOGPS solubility 1.22e+01 g/l ALOGPS logp -5 ChemAxon pka_strongest_acidic 2.06 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (2R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate ChemAxon average_mass 159.183 ChemAxon mono_mass 159.089543287 ChemAxon smiles [H]OC1C[C@H](C([O-])=O)[N+](C)(C)C1 ChemAxon formula C7H13NO3 ChemAxon inchi InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5?,6-/m1/s1 ChemAxon inchikey MUNWAHDYFVYIKH-PRJDIBJQSA-N ChemAxon polar_surface_area 60.36 ChemAxon refractivity 61.43 ChemAxon polarizability 15.94 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10146 Specdb::CMs 41210 Specdb::CMs 131190 Specdb::CMs 138924 Specdb::NmrOneD 157370 Specdb::NmrOneD 157371 Specdb::NmrOneD 157372 Specdb::NmrOneD 157373 Specdb::NmrOneD 157374 Specdb::NmrOneD 157375 Specdb::NmrOneD 157376 Specdb::NmrOneD 157377 Specdb::NmrOneD 157378 Specdb::NmrOneD 157379 Specdb::NmrOneD 157380 Specdb::NmrOneD 157381 Specdb::NmrOneD 157382 Specdb::NmrOneD 157383 Specdb::NmrOneD 157384 Specdb::NmrOneD 157385 Specdb::NmrOneD 157386 Specdb::NmrOneD 157387 Specdb::NmrOneD 157388 Specdb::NmrOneD 157389 Specdb::MsMs 288403 Specdb::MsMs 288404 Specdb::MsMs 288405 Specdb::MsMs 327508 Specdb::MsMs 327509 Specdb::MsMs 327510 Specdb::MsMs 2341917 Specdb::MsMs 2341918 Specdb::MsMs 2341919 Specdb::MsMs 2593495 Specdb::MsMs 2593496 Specdb::MsMs 2593497 HMDB0029230 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823