63731127 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 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 9 9 9 8 9 8 5 8 16 6 17 18 6 7 10 11 12 13 14 15 19 20 21 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 3 6 7 10 3 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 6.8671 6.001 5.135 2.5369 4.269 3.403 4.269 6.001 7.7331 4.269 3.8015 3.0044 3.649 4.269 4.889 5.135 2 2.5369 7.4231 8.27 8.0431 0.44 -1.06 0.44 -0.06 -0.06 0.44 -1.06 -0.06 -0.06 0.56 0.9149 0.9149 -1.06 -1.68 -1.06 1.06 0.25 -0.68 -0.5969 -0.37 0.4769 3 5 7 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 95 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0633000000000000000000000000000000000000000000000000000000000000000001E00100000000828C10006020802C004000800000018000000000000000000800800010040000000001000000016000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl N-(2-amino-1-methyl-ethyl)carbamate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(1-aminopropan-2-yl)carbamic acid methyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl <I>N</I>-(1-aminopropan-2-yl)carbamate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl N-(1-aminopropan-2-yl)carbamate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl N-(1-azanylpropan-2-yl)carbamate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-1-methyl-ethyl)carbamic acid methyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H12N2O2/c1-4(3-6)7-5(8)9-2/h4H,3,6H2,1-2H3,(H,7,8) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VAYYLOQTRPJVAQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 132.089877630 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H12N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 132.16 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CN)NC(=O)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CN)NC(=O)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 64.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 132.089877630 9 1 0 1 0 0 0 0 1 -1