2.0 2015-09-08 17:49:00 -0600 2015-09-08 17:49:00 -0600 ECMDB24077 M2MDB006194 (R)-b-aminoisobutyric acid (R)-b-Aminoisobutyrate C4H9NO2 103.1198 103.063328537 (2R)-3-amino-2-methylpropanoic acid (R)-β-aminoisobutyric acid C[C@H](CN)C(O)=O InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 QCHPKSFMDHPSNR-GSVOUGTGSA-N logp -2.97 ALOGPS logs 0.55 ALOGPS solubility 3.67e+02 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 4.17 ChemAxon pka_strongest_basic 10.32 ChemAxon iupac (2R)-3-amino-2-methylpropanoic acid ChemAxon average_mass 103.1198 ChemAxon mono_mass 103.063328537 ChemAxon smiles C[C@H](CN)C(O)=O ChemAxon formula C4H9NO2 ChemAxon inchi InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 ChemAxon inchikey QCHPKSFMDHPSNR-GSVOUGTGSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 25.28 ChemAxon polarizability 10.44 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22283 Specdb::CMs 38358 Specdb::CMs 132712 Specdb::CMs 140446 Specdb::NmrOneD 116078 Specdb::NmrOneD 116079 Specdb::NmrOneD 116080 Specdb::NmrOneD 116081 Specdb::NmrOneD 116082 Specdb::NmrOneD 116083 Specdb::NmrOneD 116084 Specdb::NmrOneD 116085 Specdb::NmrOneD 116086 Specdb::NmrOneD 116087 Specdb::NmrOneD 116088 Specdb::NmrOneD 116089 Specdb::NmrOneD 116090 Specdb::NmrOneD 116091 Specdb::NmrOneD 116092 Specdb::NmrOneD 116093 Specdb::NmrOneD 116094 Specdb::NmrOneD 116095 Specdb::NmrOneD 116096 Specdb::NmrOneD 116097 Specdb::MsMs 25454 Specdb::MsMs 25455 Specdb::MsMs 25456 Specdb::MsMs 32012 Specdb::MsMs 32013 Specdb::MsMs 32014 Specdb::MsMs 2327187 Specdb::MsMs 2327188 Specdb::MsMs 2327189 Specdb::MsMs 2612191 Specdb::MsMs 2612192 Specdb::MsMs 2612193