763 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 8 7 7 7 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 5 6 6 6 8 15 8 6 7 7 11 12 7 13 14 8 9 10 1 1 2 1 2 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 2 3.732 3.732 4.5981 2.866 2.866 3.732 2.866 2.654 2.2554 5.135 4.5981 2.3291 2.866 2 -1.75 -1.75 0.25 1.75 1.75 -0.25 1.25 -1.25 0.3326 -0.3577 1.44 2.37 1.44 2.37 -2.37 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 116 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180433000000000000000000000000000000000000000000000000000000000000000001E00100800000000C18004010802400200280000902C000000010000000000008000000200000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-guanidinoacetic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(diaminomethylideneamino)acetic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(diaminomethylideneamino)acetic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-[bis(azanyl)methylideneamino]ethanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-guanidinoacetic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 BPMFZUMJYQTVII-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 117.053826 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H7N3O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 117.10658 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(=O)O)N=C(N)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(=O)O)N=C(N)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 102 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 117.053826 8 0 0 0 0 0 0 0 1 2