44145760 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 12 8 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 -1 2 2 3 4 5 6 6 7 7 7 8 8 8 9 9 9 11 17 10 10 11 18 19 8 15 16 9 10 12 11 13 14 1 1 1 2 2 1 1 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 18 19 5.7331 0.5369 4.8671 4.001 1.403 2.8665 3.135 3.135 2.269 4.001 1.403 3.672 2.6675 1.8705 2.5981 3.672 0 3.4035 2.3296 1.81 1.81 1.31 2.81 0.31 4.81 0.31 1.31 1.81 1.81 1.31 1 2.2849 2.2849 0 0 1.5 5.12 5.12 3 8 7 1 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 127 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0623800000020000000000000000000000000000000000000000000000000000000001E00100800000828C180040008004002000800009008000000000000000000818000000200180000000040000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;2-amino-4-hydroxy-4-oxo-butanoate;hydrate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;2-amino-4-hydroxy-4-oxobutanoate;hydrate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;2-amino-4-hydroxy-4-oxobutanoate;hydrate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;2-amino-4-hydroxy-4-oxobutanoate;hydrate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;2-azanyl-4-oxidanyl-4-oxidanylidene-butanoate;hydrate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;2-amino-4-hydroxy-4-keto-butyrate;hydrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H7NO4.Mg.H2O/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;1H2/q;+2;/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CVBGIEUREJGNAI-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 174.0252890 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H8MgNO5+ Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 174.42 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)[O-])N)C(=O)O.O.[Mg+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)[O-])N)C(=O)O.O.[Mg+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 104 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 174.0252890 11 1 0 1 0 0 0 0 3 -1