21419446 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 53 12 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 2 2 3 -1 5 -1 1 3 4 5 6 7 7 7 8 8 8 9 9 9 17 10 10 11 11 8 15 16 9 10 12 11 13 14 1 1 2 1 2 1 1 1 1 1 1 1 1 1 8 7 9 10 12 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 1.2503 3.5006 2.7188 1.1204 3.5006 2.9413 0.31 1.31 1.7439 1.7439 2.7188 0.9801 1.7439 1.1394 0 0 2.2503 0 3.6828 3.0593 2.5 4.6828 6.2812 4.1828 4.1828 5.0838 3.2818 5.3063 4.7078 5.7038 5.2217 4.7197 3.6459 0 3 8 7 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 122 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180623800000220000000000000000000000000000000000000000000000000000000001E00100000000828C180040008004000000800009008000000000000000000818000000200180000000000000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 magnesium;2-aminobutanedioate;hydroiodide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 magnesium;2-aminobutanedioate;hydroiodide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 magnesium;2-aminobutanedioate;hydroiodide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 magnesium;2-aminobutanedioate;hydroiodide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 magnesium;2-azanylbutanedioate;hydroiodide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 magnesium;2-aminosuccinate;hydroiodide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H7NO4.HI.Mg/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H;/q;;+2/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GWFRUBJRNASZET-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.91920 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H6IMgNO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.30 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(C(=O)[O-])N)C(=O)[O-].[Mg+2].I SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(C(=O)[O-])N)C(=O)[O-].[Mg+2].I Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 106 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.91920 11 1 0 1 0 0 0 0 3 -1