2.0 2015-09-08 17:48:27 -0600 2015-09-08 17:48:27 -0600 ECMDB24018 M2MDB006135 L-Glutamic acid L-Glutamate C5H9NO4 147.1293 147.053157781 (2S)-2-aminopentanedioic acid L-glutamic acid N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 WHUUTDBJXJRKMK-VKHMYHEASA-N logp -3.54 ALOGPS logs -0.26 ALOGPS solubility 8.06e+01 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 1.88 ChemAxon pka_strongest_basic 9.54 ChemAxon iupac (2S)-2-aminopentanedioic acid ChemAxon average_mass 147.1293 ChemAxon mono_mass 147.053157781 ChemAxon smiles N[C@@H](CCC(O)=O)C(O)=O ChemAxon formula C5H9NO4 ChemAxon inchi InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 ChemAxon inchikey WHUUTDBJXJRKMK-VKHMYHEASA-N ChemAxon polar_surface_area 100.62 ChemAxon refractivity 31.29 ChemAxon polarizability 13.32 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 366 Specdb::CMs 367 Specdb::CMs 368 Specdb::CMs 1228 Specdb::CMs 1296 Specdb::CMs 2359 Specdb::CMs 30048 Specdb::CMs 30367 Specdb::CMs 30552 Specdb::CMs 30735 Specdb::CMs 30790 Specdb::CMs 31022 Specdb::CMs 31023 Specdb::CMs 37320 Specdb::CMs 146692 Specdb::CMs 1051565 Specdb::CMs 1051566 Specdb::CMs 1051568 Specdb::CMs 1051570 Specdb::CMs 1051572 Specdb::CMs 1051574 Specdb::CMs 1051575 Specdb::CMs 1051577 Specdb::CMs 1051579 Specdb::CMs 1051581 Specdb::NmrOneD 1109 Specdb::NmrOneD 1168 Specdb::NmrOneD 142550 Specdb::NmrOneD 142551 Specdb::NmrOneD 142552 Specdb::NmrOneD 142553 Specdb::NmrOneD 142554 Specdb::NmrOneD 142555 Specdb::NmrOneD 142556 Specdb::NmrOneD 142557 Specdb::NmrOneD 142558 Specdb::NmrOneD 142559 Specdb::NmrOneD 142560 Specdb::NmrOneD 142561 Specdb::NmrOneD 142562 Specdb::NmrOneD 142563 Specdb::NmrOneD 142564 Specdb::NmrOneD 142565 Specdb::NmrOneD 142566 Specdb::NmrOneD 142567 Specdb::NmrOneD 142568 Specdb::NmrOneD 142569 Specdb::NmrOneD 166499 Specdb::NmrOneD 166550 Specdb::NmrOneD 166566 Specdb::MsMs 221 Specdb::MsMs 222 Specdb::MsMs 223 Specdb::MsMs 3055 Specdb::MsMs 3056 Specdb::MsMs 3057 Specdb::MsMs 3058 Specdb::MsMs 3059 Specdb::MsMs 3060 Specdb::MsMs 3061 Specdb::MsMs 3062 Specdb::MsMs 3063 Specdb::MsMs 3064 Specdb::MsMs 3065 Specdb::MsMs 3066 Specdb::MsMs 3067 Specdb::MsMs 3068 Specdb::MsMs 3069 Specdb::MsMs 3070 Specdb::MsMs 3071 Specdb::MsMs 3072 Specdb::MsMs 3073 Specdb::MsMs 3074 Specdb::MsMs 3075 Specdb::MsMs 3076 Specdb::NmrTwoD 969 Specdb::NmrTwoD 1168