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 7.7331 4.269 6.8671 2.5369 3.403 5.135 6.001 4.269 6.8671 3.403 5.6025 6.3996 5.135 8.27 2 -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 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 175 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180623800000000000000000000000000000000000000000000000000000000000000001E00100800000000C18004000802C00200080001901802000000000000000080C800000200000000200000000006009000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(carboxymethylamino)-2-oxo-acetic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(carboxymethylamino)-2-oxoacetic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(carboxymethylamino)-2-oxoacetic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(2-hydroxy-2-oxoethylamino)-2-oxidanylidene-ethanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(carboxymethylamino)-2-keto-acetic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 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 1.0.3 InChI nist.gov 2011.09.13 BIMZLRFONYSTPT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.016772 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H5NO5 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.0862 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(=O)O)NC(=O)C(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(=O)O)NC(=O)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 104 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.016772 10 0 0 0 0 0 0 0 1 2