(2R)-azetidine-2-carboxylic acid

• ChemBase编号: 63598
• 分子式: C4H7NO2
• 平均质量: 101.10388
• 单一同位素质量: 101.04767847
• SMILES: [C@@H]1(C(=O)O)NCC1
• Canonical SMILES: OC(=O)[C@H]1CCN1
• InChI: InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1
• InChIKey: IADUEWIQBXOCDZ-GSVOUGTGSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-azetidine-2-carboxylic acid
• IUPAC传统名: (2R)-azetidine-2-carboxylic acid
• 别名: (R)-Azetidine-2-carboxylic acid; (2R)-2-Azetidinecarboxylic Acid; (+)-Azetidinecarboxylic Acid; D-Azetidine-2-carboxylic Acid; (2S)-2-Azetidinecarboxylic acid; (-)-Azetidinecarboxylic acid; (S)-(-)-2-Azetidine carboxylic acid; L-Azetidine-2-carboxylic Acid; (R)-(+) Azetidine-2-carboxylic acid

登记号

• CAS号: 2133-34-8; 7729-30-8
• MDL号: MFCD00800731
• PubChem SID: 162029337
• PubChem CID: 637601

理论计算性质

• Acid pKa: 1.7564697
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -3.0860164
• LogD (pH = 7.4): -3.0861597
• Log P: -3.0859778
• 摩尔折射率: 23.4197 cm^3
• 极化性: 9.473591 Å^3
• 极化表面积: 49.33 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMF; Methanol; Water
• 外观: Off-White Solid; White to Off-White Solid
• 熔点: 209-211°C; 220-224°C

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: >95%; 95+%

详细说明

Toronto Research Chemicals - A812500

A four-membered ring analog of L-Proline. A useful intermediate in the synthesis of polypeptides.

Toronto Research Chemicals - A812480

A four-membered ring analog of L-Proline. A useful intermediate in the synthesis of polypeptides.

参考文献

• Barber, M., et al.: Int. J. Pept. Protein Res., 14(3)
• 247 (3)
• Tsai., F.H., et al.: Biopolymers, 30(11-12), 1039 (1990)
• Barber, M., et al.: Int. J. Pept. Protein Res., 14(3)
• 247 (3)
• Tsai., F.H., et al.: Biopolymers, 30(11-12), 1039 (1990)