2-methoxyethyl 2-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate

• ChemBase编号: 819386
• 分子式: C13H24N2O3
• 平均质量: 256.34126
• 单一同位素质量: 256.17869264
• SMILES: N1(C(=O)OCCOC)CCC2(CN(CC2)C)CC1
• Canonical SMILES: COCCOC(=O)N1CCC2(CC1)CCN(C2)C
• InChI: InChI=1S/C13H24N2O3/c1-14-6-3-13(11-14)4-7-15(8-5-13)12(16)18-10-9-17-2/h3-11H2,1-2H3
• InChIKey: ZWWWLTAPASLHCL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxyethyl 2-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate
• IUPAC传统名: 2-methoxyethyl 2-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate
• 别名: 2-methoxyethyl 2-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -2.9924042
• LogD (pH = 7.4): -1.6740069
• Log P: 0.3812543
• 摩尔折射率: 69.862 cm^3
• 极化性: 27.356264 Å^3
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.02
• LOG S: -0.93
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 4