2.0 2015-09-08 17:49:12 -0600 2015-09-08 17:49:12 -0600 ECMDB24088 M2MDB006205 4-Hydroxy-L-proline C5H9NO3 131.1299 131.058243159 (2S)-4-hydroxypyrrolidine-2-carboxylic acid 4 hydroxyproline OC1CN[C@@H](C1)C(O)=O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1 PMMYEEVYMWASQN-BKLSDQPFSA-N logp -3.31 ALOGPS logs 0.57 ALOGPS solubility 4.92e+02 g/l ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 1.64 ChemAxon pka_strongest_basic 10.62 ChemAxon iupac (2S)-4-hydroxypyrrolidine-2-carboxylic acid ChemAxon average_mass 131.1299 ChemAxon mono_mass 131.058243159 ChemAxon smiles OC1CN[C@@H](C1)C(O)=O ChemAxon formula C5H9NO3 ChemAxon inchi InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1 ChemAxon inchikey PMMYEEVYMWASQN-BKLSDQPFSA-N ChemAxon polar_surface_area 69.56 ChemAxon refractivity 29.38 ChemAxon polarizability 12.32 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25197 Specdb::CMs 30372 Specdb::CMs 38951 Specdb::NmrOneD 280458 Specdb::NmrOneD 280459 Specdb::NmrOneD 280460 Specdb::NmrOneD 280461 Specdb::NmrOneD 280462 Specdb::NmrOneD 280463 Specdb::NmrOneD 280464 Specdb::NmrOneD 280465 Specdb::NmrOneD 280466 Specdb::NmrOneD 280467 Specdb::NmrOneD 280468 Specdb::NmrOneD 280469 Specdb::NmrOneD 280470 Specdb::NmrOneD 280471 Specdb::NmrOneD 280472 Specdb::NmrOneD 280473 Specdb::NmrOneD 280474 Specdb::NmrOneD 280475 Specdb::NmrOneD 280476 Specdb::NmrOneD 280477 Specdb::MsMs 24887 Specdb::MsMs 24888 Specdb::MsMs 24889 Specdb::MsMs 31445 Specdb::MsMs 31446 Specdb::MsMs 31447 Specdb::MsMs 438850 Specdb::MsMs 438851 Specdb::MsMs 446265 Specdb::MsMs 446266 Specdb::MsMs 446267 Specdb::MsMs 446268 Specdb::MsMs 446269 Specdb::MsMs 447596 Specdb::MsMs 447709 Specdb::MsMs 447710