60173069 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 53 30 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 1 -1 2 2 3 3 4 4 5 6 7 7 7 8 8 8 9 9 9 10 17 11 18 10 11 8 15 16 9 10 12 11 13 14 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 8 7 9 10 12 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 2.202 3.202 4.8671 0.5369 4.001 1.403 3.135 3.135 2.269 4.001 1.403 2.5981 2.6675 1.8705 2.5981 3.672 5.404 0 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 8 7 1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 133 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180623800000200020000000000000000000000000000000000000000000000000000001E00100800000828C180040008004002000800009008000000000000000000818000000200180000000040000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 zinc;(2S)-2-aminobutanedioic acid;iodide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 zinc;(2S)-2-aminobutanedioic acid;iodide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 zinc;(2<I>S</I>)-2-aminobutanedioic acid;iodide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 zinc;(2S)-2-aminobutanedioic acid;iodide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 zinc;(2S)-2-azanylbutanedioic acid;iodide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 zinc;(2S)-2-aminosuccinic acid;iodide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H7NO4.HI.Zn/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H;/q;;+2/p-1/t2-;;/m0../s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YDZVTMZJFMEGAT-JIZZDEOASA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.87112 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H7INO4Zn+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(C(=O)O)N)C(=O)O.[Zn+2].[I-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C([C@@H](C(=O)O)N)C(=O)O.[Zn+2].[I-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 101 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.87112 11 1 1 0 0 0 0 0 3 -1