586 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 7 7 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 9 18 9 6 7 8 8 15 16 8 17 9 10 11 12 13 14 1 1 2 1 1 1 1 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 16 17 18 6.8671 6.001 4.269 2.5369 3.403 5.135 4.269 3.403 6.001 4.7365 5.5335 4.889 4.269 3.649 2 2.5369 2.866 7.404 -0.095 1.405 0.405 0.405 -1.095 -0.095 1.405 -0.095 0.405 -0.5699 -0.5699 1.405 2.025 1.405 0.095 1.025 -1.405 0.215 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 134 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 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 00000371C0633000000000000000000000000000000000000000000000000000000000000000001E00100800000000C180040308034002002800009028000000008000000100008800008200000008200000000000021000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[carbamimidoyl(methyl)amino]acetic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[carbamimidoyl(methyl)amino]acetic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[carbamimidoyl(methyl)amino]acetic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[carbamimidoyl(methyl)amino]ethanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[amidino(methyl)amino]acetic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 CVSVTCORWBXHQV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 131.069477 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H9N3O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 131.13316 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CN(CC(=O)O)C(=N)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CN(CC(=O)O)C(=N)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 90.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 131.069477 9 0 0 0 0 0 0 0 1 1