11163 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 8 8 7 7 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 6 7 8 8 7 9 17 9 6 7 12 8 15 16 9 10 11 8 13 14 2 1 1 2 1 1 1 1 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 15 16 17 6.001 2.5369 3.403 5.135 7.7331 4.269 6.001 6.8671 3.403 4.6675 3.8705 5.135 6.4685 7.2656 8.27 7.7331 2 1.25 0.25 -1.25 -0.25 0.25 0.25 0.25 -0.25 -0.25 0.7249 0.7249 -0.87 -0.7249 -0.7249 -0.06 0.87 -0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 123 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 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 00000371C0633000000000000000000000000000000000000000000000000000000000000000001E00100800000000C18004000802C002000800019018000000000000000000808800000240000000201000000016009000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[(2-aminoacetyl)amino]acetic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[(2-amino-1-oxoethyl)amino]acetic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[(2-aminoacetyl)amino]acetic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(2-azanylethanoylamino)ethanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(glycylamino)acetic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 YMAWOPBAYDPSLA-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 132.053492 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H8N2O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 132.11792 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(=O)NCC(=O)O)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(=O)NCC(=O)O)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 92.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 132.053492 9 0 0 0 0 0 0 0 1 2