(2R)-piperidine-2-carboxylic acid

• ChemBase编号: 69513
• 分子式: C6H11NO2
• 平均质量: 129.15704
• 单一同位素质量: 129.0789786
• SMILES: N1[C@H](CCCC1)C(=O)O
• Canonical SMILES: OC(=O)[C@H]1CCCCN1
• InChI: InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
• InChIKey: HXEACLLIILLPRG-RXMQYKEDSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-piperidine-2-carboxylic acid
• IUPAC传统名: D-pipecolic acid; (+)-pipecolic acid
• 别名: (R)-(+)-2-哌啶甲酸; (R)-哌啶-2-羧酸; D-高脯氨酸; D-哌啶酸; D-哌可酸; D-哌啶甲酸; (R)-(+)-2-Piperidinecarboxylic acid; (R)-Piperidine-2-carboxylic acid; D-Homoproline; D-Pipecolinic acid; (2R)-piperidine-2-carboxylic acid; (R)-(+)-Piperidine-2-carboxylic Acid; (S)-(-)-2-Piperidinecarboxylic Acid; (S)-(-)-Pipecolic Acid; (-)-Pipecolic Acid; (S)-Piperidine-2-carboxylic Acid; L-Pipecolic Acid; L-Pipecolinic Acid; L-Piperidine-2-carboxylic Acid; NSC 93089; L-Pipecolic Acid; (R)-Piperidine-2-carboxylic acid; D-PIPECOLIC ACID; D-Pipecolinic acid; D-Pipecolic acid

登记号

• CAS号: 1723-00-8; 3105-95-1
• EC号: 217-024-4
• MDL号: MFCD00064346
• Beilstein号: 81094
• PubChem SID: 24856260; 162035239
• PubChem CID: 736316

理论计算性质

• Acid pKa: 2.0631034
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -2.124041
• LogD (pH = 7.4): -2.1243129
• Log P: -2.1239622
• 摩尔折射率: 32.6653 cm^3
• 极化性: 13.120767 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: Methanol; Water
• 外观: Off-White Solid; White Crystalline Powder
• 熔点: ~280 °C (dec.); 238-254°C; 277 °C (dec.)(lit.); 280°C (dec)
• 比旋光度: [α]20/D +27±1°, c = 1% in H2O; [α]25/D +27°, c = 1 in H2O
• 疏水性(logP): -1.854

安全信息

• 保存条件: Refrigerator
• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• TSCA收录: false
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99.0% (NT); 95%; 95+%; 99%
• 级别: purum
• Empirical Formula (Hill Notation): C6H11NO2

详细说明

Sigma Aldrich - 268062

包装
100 mg in glass bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 268062.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Toronto Research Chemicals - P479750

Pipecolic acid is involved in synaptic transmission in the central nervous system. The l-form occurs in plants.

Toronto Research Chemicals - P479751

Pipecolic acid is involved in synaptic transmission in the central nervous system.

参考文献

• Nomura Y., et al.: Neurochem. Res., 6, 391 (1981)
• Nomura Y., et al.: Neurochem. Res., 6, 391 (1981)