439199 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 8 8 7 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 8 9 9 10 10 10 7 8 6 8 13 7 10 16 9 20 21 7 11 12 9 14 15 17 18 19 2 2 1 1 1 1 1 1 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 18 19 20 21 3.732 6.3301 5.4641 2.866 8.0622 4.5981 3.732 6.3301 7.1962 2 4.9966 4.1996 5.4641 6.7976 7.5947 2.866 1.69 1.4631 2.31 8.5991 8.0622 -1.25 1.25 -0.25 0.25 0.25 0.25 -0.25 0.25 -0.25 -0.25 0.7249 0.7249 -0.87 -0.7249 -0.7249 0.87 0.2869 -0.56 -0.7869 -0.06 0.87 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 135 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 00000371C0633000000000000000000000000000000000000000000000000000000000000000001E00100000000000C18004020002C000000800011010000000000000000000808800000040000000201000000016008000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-N-[2-(methylamino)-2-oxo-ethyl]acetamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-N-[2-(methylamino)-2-oxoethyl]acetamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-N-[2-(methylamino)-2-oxoethyl]acetamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azanyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]ethanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-N-[2-keto-2-(methylamino)ethyl]acetamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H11N3O2/c1-7-5(10)3-8-4(9)2-6/h2-3,6H2,1H3,(H,7,10)(H,8,9) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 BWGVNKXGVNDBDI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 145.085127 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H11N3O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 145.15974 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CNC(=O)CNC(=O)CN SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CNC(=O)CNC(=O)CN Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 84.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 145.085127 10 0 0 0 0 0 0 0 1 4