1-(pyrrolidin-1-yl)cyclopentane-1-carboxylic acid

• ChemBase编号: 310523
• 分子式: C10H17NO2
• 平均质量: 183.24748
• 单一同位素质量: 183.12592879
• SMILES: C1(N2CCCC2)(C(=O)O)CCCC1
• Canonical SMILES: OC(=O)C1(CCCC1)N1CCCC1
• InChI: InChI=1S/C10H17NO2/c12-9(13)10(5-1-2-6-10)11-7-3-4-8-11/h1-8H2,(H,12,13)
• InChIKey: RKEFYANFQKIQCV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(pyrrolidin-1-yl)cyclopentane-1-carboxylic acid
• IUPAC传统名: 1-(pyrrolidin-1-yl)cyclopentane-1-carboxylic acid
• 别名: 1-pyrrolidin-1-ylcyclopentanecarboxylic acid

登记号

• MDL号: MFCD09055402

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.0740987
• LogD (pH = 7.4): -1.0740724
• Log P: -1.0740428
• 摩尔折射率: 50.0667 cm^3
• 极化性: 19.736694 Å^3
• 极化表面积: 40.54 Å^2