3047822 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 8 8 8 8 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 8 13 9 14 13 14 13 27 28 14 29 30 8 9 10 15 11 16 12 17 18 19 20 21 22 23 24 25 26 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 1 7 11 16 3 1 9 2 7 12 17 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 22 23 24 25 26 27 28 29 30 4.269 7.7331 3.403 8.5991 2.5369 9.4651 6.001 5.135 6.8671 6.001 5.135 6.8671 3.403 8.5991 6.538 5.135 7.404 5.381 6.001 6.621 5.755 5.135 4.515 7.4871 6.8671 6.2471 2 2.5369 10.0021 9.4651 -0.25 -0.25 1.25 1.25 -0.25 -0.25 -0.25 0.25 0.25 -1.25 1.25 1.25 0.25 0.25 -0.56 -0.37 0.56 -1.25 -1.87 -1.25 1.25 1.87 1.25 1.25 1.87 1.25 0.06 -0.87 0.06 -0.87 3 3 8 9 11 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 197 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0733800000000000000000000000000000000000000000000000000000000000000001E00100000000D14A080020208004004000800000018000000000000000000000000010000020000000800000500000000000000000A00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3-carbamoyloxy-1,2-dimethyl-butyl) carbamate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbamic acid (4-carbamoyloxy-3-methylpentan-2-yl) ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-carbamoyloxy-3-methylpentan-2-yl) carbamate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-carbamoyloxy-3-methylpentan-2-yl) carbamate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-aminocarbonyloxy-3-methyl-pentan-2-yl) carbamate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbamic acid (3-carbamoyloxy-1,2-dimethyl-butyl) ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H16N2O4/c1-4(5(2)13-7(9)11)6(3)14-8(10)12/h4-6H,1-3H3,(H2,9,11)(H2,10,12) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XAIVVICFVUFHEP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 204.11100700 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H16N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 204.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C(C)OC(=O)N)C(C)OC(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C(C)OC(=O)N)C(C)OC(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 105 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 204.11100700 14 2 0 2 0 0 0 0 1 -1