4229702 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 8 8 8 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 -1 1 2 3 4 4 4 5 5 5 5 6 6 8 8 9 9 10 10 10 11 11 12 12 13 7 14 14 7 10 19 6 7 15 16 8 9 11 17 12 18 14 20 21 13 22 13 23 24 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 4.5981 5.4641 3.732 3.732 2.866 2.866 3.732 2 3.732 4.5981 2 3.732 2.866 4.5981 2.654 2.2554 1.4631 4.269 3.1951 4.8101 5.2087 1.4631 4.269 2.866 -0.25 3.25 3.25 1.25 -0.25 -1.25 0.25 -1.75 -1.75 1.75 -2.75 -2.75 -3.25 2.75 0.3326 -0.3577 -1.44 -1.44 1.56 1.1674 1.8577 -3.06 -3.06 -3.87 8 8 8 8 8 8 6 6 8 9 11 12 8 9 11 12 13 13 -1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 204 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 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 00000371C0723000000000000000000000000000000000000000300000000000000000010000001E00100000000C00C19804300882C00000880221D218000200002000000888818800880A20328095318420002096009888071888808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[(2-phenylacetyl)amino]acetate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[(1-oxo-2-phenylethyl)amino]acetate IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[(2-phenylacetyl)amino]acetate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(2-phenylethanoylamino)ethanoate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[(2-phenylacetyl)amino]acetate InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)/p-1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 UTYVDVLMYQPLQB-UHFFFAOYSA-M Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 192.066068 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H10NO3- Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 192.1913 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)CC(=O)NCC(=O)[O-] SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)CC(=O)NCC(=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 69.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 192.066068 14 0 0 0 0 0 0 0 1 2