59248324 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 8 8 8 7 6 6 6 6 3 3 1 1 1 1 1 1 -1 2 -1 10 1 11 1 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 8 10 9 11 8 9 6 15 16 7 8 12 9 13 14 1 7 1 7 2 2 1 1 1 1 1 1 1 1 1 6 5 7 8 12 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 7.1962 2.866 6.3301 3.732 5.4641 5.4641 4.5981 6.3301 3.732 8.0622 2 6.001 4.9966 4.1996 4.9272 6.001 -0.095 0.405 1.405 -1.095 -1.095 -0.095 0.405 0.405 -0.095 0.405 -0.095 -0.405 0.8799 0.8799 -1.405 -1.405 3 6 5 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 140 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 1 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 000003718C623800000000000000000000000000000000000000000000000000000000000000001E00100000000828C180040008004000000800009008000000000000000000818000000200180000000000000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 dilithium;2-aminobutanedioate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 dilithium;2-aminobutanedioate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 dilithium;2-aminobutanedioate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 dilithium;2-azanylbutanedioate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 dilithium;2-aminosuccinate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C4H7NO4.2Li/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 SUEJICPFWLEIQM-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 145.053867 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C4H5Li2NO4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 144.9688 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [Li+].[Li+].C(C(C(=O)[O-])N)C(=O)[O-] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [Li+].[Li+].C(C(C(=O)[O-])N)C(=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 106 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 145.053867 11 1 0 1 0 0 0 0 3 1