3080614 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 2 3 4 4 5 6 6 6 7 7 7 8 9 14 8 9 10 15 10 7 8 13 9 11 12 10 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 2.5369 6.001 3.403 7.7331 6.8671 5.135 4.269 6.001 3.403 6.8671 3.8705 4.6675 5.135 2 8.27 -0.25 -1.25 1.25 -0.25 1.25 0.25 -0.25 -0.25 0.25 0.25 -0.7249 -0.7249 0.87 0.06 0.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 175 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180623800000000000000000000000000000000000000000000000000000000000000001E00100800000000C18004000802C00200080001901802000000000000000080C800000200000000200000000006009000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(carboxymethylamino)-2-oxo-acetic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(carboxymethylamino)-2-oxoacetic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(carboxymethylamino)-2-oxoacetic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(carboxymethylamino)-2-oxoacetic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-hydroxy-2-oxoethylamino)-2-oxidanylidene-ethanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(carboxymethylamino)-2-keto-acetic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BIMZLRFONYSTPT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 147.01677226 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H5NO5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 147.09 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(=O)O)NC(=O)C(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(=O)O)NC(=O)C(=O)O 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 2021.10.14 147.01677226 10 0 0 0 0 0 0 0 1 -1