57485406 1 2 3 4 5 6 7 8 9 10 11 12 13 14 30 8 8 8 7 6 6 1 1 1 1 1 1 1 2 2 3 4 4 5 5 5 6 6 6 7 12 7 13 14 6 10 11 7 8 9 1 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 0 3.0369 3.903 4.336 5.635 4.769 3.903 5.1675 4.3705 6.172 5.635 2.5 4.8729 3.799 1.9875 1.5 0 3.975 1 1.5 1 1.975 1.975 1.31 0.38 1.19 4.285 4.285 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 42.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180423000000000020000000000000000000000000000000000000000000000000000001E00100800000000C180040008004002000800009008000000000000000000808000000200000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminoacetic acid;zinc;hydrate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminoacetic acid;zinc;hydrate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminoacetic acid;zinc;hydrate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminoacetic acid;zinc;hydrate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-azanylethanoic acid;zinc;hydrate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminoacetic acid;zinc;hydrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H5NO2.H2O.Zn/c3-1-2(4)5;;/h1,3H2,(H,4,5);1H2; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XQEYUACKPPFXEL-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 156.971735 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H7NO3Zn Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 158.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(=O)O)N.O.[Zn] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(=O)O)N.O.[Zn] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 64.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 156.971735 7 0 0 0 0 0 0 0 3 -1