50922653 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 29 8 8 8 8 8 8 8 8 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 6 -1 7 -1 10 -1 11 -1 2 2 3 3 4 5 6 7 8 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 28 17 29 16 17 18 19 18 19 12 26 13 27 14 18 20 15 19 21 16 22 23 17 24 25 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12 10 14 18 20 3 1 13 11 15 19 21 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 7.7331 2.5369 12.9292 3.403 12.0632 6.8671 8.5991 6.001 9.4651 5.135 10.3312 5.135 10.3312 4.269 11.1972 3.403 12.0632 6.001 9.4651 5.672 10.8681 4.6675 3.8705 11.5957 10.7987 4.5981 10.8681 2 13.4662 0.405 0.405 0.405 -1.095 -1.095 -0.095 -0.095 1.405 1.405 -1.095 -1.095 -0.095 -0.095 0.405 0.405 -0.095 -0.095 0.405 0.405 -0.405 -0.405 0.8799 0.8799 0.8799 0.8799 -1.405 -1.405 0.095 0.095 3 3 12 13 10 11 -2 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 127 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 10 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733C00000000040000000000000000000000000000000000000000000000000000001E00100800000828C180040008004002000800009008000000000000000000818000000200180000000040000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;2-azanidyl-4-hydroxy-4-oxo-butanoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;2-azanidyl-4-hydroxy-4-oxobutanoate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;2-azanidyl-4-hydroxy-4-oxobutanoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;2-azanidyl-4-hydroxy-4-oxobutanoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;2-azanidyl-4-oxidanyl-4-oxidanylidene-butanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 cupric;2-amidyl-4-hydroxy-4-keto-butyrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2C4H6NO4.Cu/c2*5-2(4(8)9)1-3(6)7;/h2*2,5H,1H2,(H,6,7)(H,8,9);/q2*-1;+2/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FFPCGFWGVZRUBE-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 324.973312 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H10CuN2O8-2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.72 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(C(=O)[O-])[NH-])C(=O)O.C(C(C(=O)[O-])[NH-])C(=O)O.[Cu+2] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(C(=O)[O-])[NH-])C(=O)O.C(C(C(=O)[O-])[NH-])C(=O)O.[Cu+2] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 157 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 324.973312 19 2 0 2 0 0 0 0 3 -1