ethyl 2-[3-(cyclopentylamino)oxetan-3-yl]acetate

• ChemBase编号: 136391
• 分子式: C12H21NO3
• 平均质量: 227.30004
• 单一同位素质量: 227.15214354
• SMILES: CCOC(=O)CC1(COC1)NC1CCCC1
• Canonical SMILES: CCOC(=O)CC1(COC1)NC1CCCC1
• InChI: InChI=1S/C12H21NO3/c1-2-16-11(14)7-12(8-15-9-12)13-10-5-3-4-6-10/h10,13H,2-9H2,1H3
• InChIKey: JVFASVVFLWPIPA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-[3-(cyclopentylamino)oxetan-3-yl]acetate
• IUPAC传统名: ethyl 2-[3-(cyclopentylamino)oxetan-3-yl]acetate
• 别名: Ethyl [3-(cyclopentylamino)-3-oxetanyl]acetate

登记号

• MDL号: MFCD14586436
• PubChem SID: 162230661
• PubChem CID: 71309773

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.4358296
• LogD (pH = 7.4): 0.29422992
• Log P: 1.1445568
• 摩尔折射率: 60.0426 cm^3
• 极化性: 24.372103 Å^3
• 极化表面积: 47.56 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C12H21NO3

详细说明

Sigma Aldrich - L500399

Other Notes
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