N-[1-(methoxymethyl)cyclopentyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase编号: 677883
• 分子式: C12H20N2O4
• 平均质量: 256.2982
• 单一同位素质量: 256.14230713
• SMILES: C1(=O)N(CC(=O)NC2(COC)CCCC2)CCO1
• Canonical SMILES: COCC1(CCCC1)NC(=O)CN1CCOC1=O
• InChI: InChI=1S/C12H20N2O4/c1-17-9-12(4-2-3-5-12)13-10(15)8-14-6-7-18-11(14)16/h2-9H2,1H3,(H,13,15)
• InChIKey: AGKKKFDMUZUWSP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(methoxymethyl)cyclopentyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC传统名: N-[1-(methoxymethyl)cyclopentyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• 别名: N-[1-(methoxymethyl)cyclopentyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 13.533316
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.008958177
• LogD (pH = 7.4): -0.008958455
• Log P: -0.008958172
• 摩尔折射率: 64.0637 cm^3
• 极化性: 25.272545 Å^3
• 极化表面积: 67.87 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: -0.2
• LOG S: -2.21
• 极化表面积: 67.87 Å^2
• 可自由旋转的化学键: 5