ethyl 2-(3-{[(benzyloxy)carbonyl]amino}oxetan-3-yl)acetate

• ChemBase编号: 136384
• 分子式: C15H19NO5
• 平均质量: 293.31506
• 单一同位素质量: 293.12632271
• SMILES: CCOC(=O)CC1(COC1)NC(=O)OCc1ccccc1
• Canonical SMILES: CCOC(=O)CC1(COC1)NC(=O)OCc1ccccc1
• InChI: InChI=1S/C15H19NO5/c1-2-20-13(17)8-15(10-19-11-15)16-14(18)21-9-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,18)
• InChIKey: SRTSPKRBWKDIOG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-(3-{[(benzyloxy)carbonyl]amino}oxetan-3-yl)acetate
• IUPAC传统名: ethyl 2-(3-{[(benzyloxy)carbonyl]amino}oxetan-3-yl)acetate
• 别名: Ethyl (3-{[(benzyloxy)carbonyl]amino}-3-oxetanyl)acetate

登记号

• MDL号: MFCD14586428
• PubChem SID: 162230654
• PubChem CID: 71309770

理论计算性质

• Acid pKa: 13.42547
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.5198854
• LogD (pH = 7.4): 1.5198851
• Log P: 1.5198854
• 摩尔折射率: 74.5348 cm^3
• 极化性: 29.582232 Å^3
• 极化表面积: 73.86 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C15H19NO5

详细说明

Sigma Aldrich - L500321

Other Notes
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