60207115 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 27 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 6 7 7 7 8 8 8 9 16 10 17 9 10 7 14 15 8 9 11 10 12 13 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 7 6 8 9 11 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 2.452 4.8671 0.5369 4.001 1.403 3.135 3.135 2.269 4.001 1.403 3.672 2.6675 1.8705 2.5981 3.672 5.404 0 0 3.81 4.31 5.31 2.81 2.81 3.81 4.31 4.31 3.81 3.5 4.785 4.785 2.5 2.5 4.12 4 5 7 6 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 133 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 3 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 0000037180623800000000100000000000000000000000000000000000000000000000000000001E00100800000828C180040008004002000800009008000000000000000000818000000200180000000040000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 (2S)-2-aminobutanedioic acid;cobalt IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 (2S)-2-aminobutanedioic acid;cobalt IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 (2S)-2-aminobutanedioic acid;cobalt IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 (2S)-2-azanylbutanedioic acid;cobalt IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 (2S)-2-aminosuccinic acid;cobalt InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C4H7NO4.Co/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/t2-;/m0./s1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 LOCYLIRBVCIGNR-DKWTVANSSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 191.970703 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C4H7CoNO4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 192.035875 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(C(C(=O)O)N)C(=O)O.[Co] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C([C@@H](C(=O)O)N)C(=O)O.[Co] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 101 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 191.970703 10 1 1 0 0 0 0 0 2 1