3-(carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid

• ChemBase编号: 105949
• 分子式: C10H15NO4
• 平均质量: 213.2304
• 单一同位素质量: 213.10010797
• SMILES: CC(=C)C1CNC(C1CC(=O)O)C(=O)O
• Canonical SMILES: OC(=O)CC1C(CNC1C(=O)O)C(=C)C
• InChI: InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)
• InChIKey: VLSMHEGGTFMBBZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid
• IUPAC传统名: kainic acid
• 别名: 2-Carboxyl-3-carboxymethyl-4-isopropenylpyrrolidine; KAINIC ACID

登记号

• CAS号: 487-79-6
• PubChem SID: 162089006
• PubChem CID: 3816

理论计算性质

• Acid pKa: 1.7361971
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -3.3863163
• LogD (pH = 7.4): -5.153439
• Log P: -2.3627985
• 摩尔折射率: 52.201 cm^3
• 极化性: 20.809425 Å^3
• 极化表面积: 86.63 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 253-255°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: UX9665250

产品相关信息

• 纯度: 99%

详细说明

MP Biomedicals - 02195264

Synthetic,Crystalline
Kainic acid is a minor amino acid typically found in Digenea simplex seaweed, although this is a synthetic preparation.

MP Biomedicals - 02199527

White to slightly pale brown crystalline powder.
Source: Isolated from Digenea simplex seaweed
Purity: 99%
Kainic acid is a neuronal excitant and neurotoxin that has been used to induce seizures and neurodegeneration and has been used for research for epilepsy and other neurologic disorders.