2.0 2015-09-08 17:48:57 -0600 2015-09-08 17:48:57 -0600 ECMDB24071 M2MDB006188 2-Keto-glutaramic acid 2-keto-Glutaramate C5H7NO4 145.1134 145.037507717 4-carbamoyl-2-oxobutanoic acid 2-keto-glutaramate NC(=O)CCC(=O)C(O)=O InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10) COJBGNAUUSNXHX-UHFFFAOYSA-N logp -1.43 ALOGPS logs -0.74 ALOGPS solubility 2.67e+01 g/l ALOGPS logp -0.92 ChemAxon pka_strongest_acidic 2.97 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 4-carbamoyl-2-oxobutanoic acid ChemAxon average_mass 145.1134 ChemAxon mono_mass 145.037507717 ChemAxon smiles NC(=O)CCC(=O)C(O)=O ChemAxon formula C5H7NO4 ChemAxon inchi InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10) ChemAxon inchikey COJBGNAUUSNXHX-UHFFFAOYSA-N ChemAxon polar_surface_area 97.46 ChemAxon refractivity 30.71 ChemAxon polarizability 12.56 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13978 Specdb::CMs 38122 Specdb::CMs 173808 Specdb::NmrOneD 148160 Specdb::NmrOneD 148161 Specdb::NmrOneD 148162 Specdb::NmrOneD 148163 Specdb::NmrOneD 148164 Specdb::NmrOneD 148165 Specdb::NmrOneD 148166 Specdb::NmrOneD 148167 Specdb::NmrOneD 148168 Specdb::NmrOneD 148169 Specdb::NmrOneD 148170 Specdb::NmrOneD 148171 Specdb::NmrOneD 148172 Specdb::NmrOneD 148173 Specdb::NmrOneD 148174 Specdb::NmrOneD 148175 Specdb::NmrOneD 148176 Specdb::NmrOneD 148177 Specdb::NmrOneD 148178 Specdb::NmrOneD 148179 Specdb::MsMs 23648 Specdb::MsMs 23649 Specdb::MsMs 23650 Specdb::MsMs 30446 Specdb::MsMs 30447 Specdb::MsMs 30448 Specdb::MsMs 2802538 Specdb::MsMs 2802539 Specdb::MsMs 2802540 Specdb::MsMs 2878952 Specdb::MsMs 2878953 Specdb::MsMs 2878954