1.0 2016-09-30 22:53:00 UTC 2020-05-21 16:28:29 UTC BMDB0002234 BMDB02234 1-Pyrroline-4-hydroxy-2-carboxylate 1-Pyrroline-4-hydroxy-2-carboxylic acid 4-Hydroxy-1-pyrroline-2-carboxylate 4-Hydroxy-1-pyrroline-2-carboxylic acid C5H7NO3 129.114 129.042593095 3-hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylic acid 4-hydroxy-4,5-dihydro-3H-pyrrole-2-carboxylic acid 9054-77-7 OC1CN=C(C1)C(O)=O InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h3,7H,1-2H2,(H,8,9) AOMLMYXPXUTBQH-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms. Organic compounds Organoheterocyclic compounds Pyrrolines Pyrrolines Azacyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Ketimines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Imine Ketimine Monocarboxylic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrroline Secondary alcohol Aliphatic heteromonocyclic compounds 1-pyrrolinecarboxylic acid Solid logp -0.87 ALOGPS logs -0.85 ALOGPS logp -0.39 ChemAxon pka_strongest_acidic 3.66 ChemAxon pka_strongest_basic 0.53 ChemAxon iupac 3-hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylic acid ChemAxon average_mass 129.114 ChemAxon mono_mass 129.042593095 ChemAxon smiles OC1CN=C(C1)C(O)=O ChemAxon formula C5H7NO3 ChemAxon inchi InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h3,7H,1-2H2,(H,8,9) ChemAxon inchikey AOMLMYXPXUTBQH-UHFFFAOYSA-N ChemAxon polar_surface_area 69.89 ChemAxon refractivity 29.05 ChemAxon polarizability 11.76 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 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 Arginine and Proline Metabolism SMP0087178 Specdb::CMs 22242 Specdb::CMs 38334 Specdb::CMs 148999 Specdb::MsIr 1698 Specdb::MsIr 1699 Specdb::MsIr 1700 Specdb::MsMs 315388 Specdb::MsMs 315389 Specdb::MsMs 315390 Specdb::MsMs 361354 Specdb::MsMs 361355 Specdb::MsMs 361356 Specdb::MsMs 2316851 Specdb::MsMs 2316852 Specdb::MsMs 2316853 Specdb::MsMs 2622182 Specdb::MsMs 2622183 Specdb::MsMs 2622184 Specdb::NmrOneD 149240 Specdb::NmrOneD 149241 Specdb::NmrOneD 149242 Specdb::NmrOneD 149243 Specdb::NmrOneD 149244 Specdb::NmrOneD 149245 Specdb::NmrOneD 149246 Specdb::NmrOneD 149247 Specdb::NmrOneD 149248 Specdb::NmrOneD 149249 Specdb::NmrOneD 149250 Specdb::NmrOneD 149251 Specdb::NmrOneD 149252 Specdb::NmrOneD 149253 Specdb::NmrOneD 149254 Specdb::NmrOneD 149255 Specdb::NmrOneD 149256 Specdb::NmrOneD 149257 Specdb::NmrOneD 149258 Specdb::NmrOneD 149259 389257 FDB022921 440282 16352 C04282 6564 BMDBP00618 D-aspartate oxidase P31228 DDO Enzyme