CAS 74844-91-0|(2S,4R)-1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate|1-tert-butyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate|1-tert-butyl 2-methyl (2S,4R)-4-hydroxypyrrol...

基本信息

化学结构

分子式

C₁₁H₁₉NO₅

分子量

245.27226

精确质量

245.12632271

电荷

InChI

InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8+/m1/s1

InChIKey

MZMNEDXVUJLQAF-SFYZADRCSA-N

Canonic Smiles

COC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)O

Isomeric Smiles

C(=O)([C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)O)OC

计算属性

JChem

Acid pKa

14.790254

质子受体

质子供体

LogD (pH = 5.5)

0.18424809

LogD (pH = 7.4)

0.18424807

Log P

0.18424809

摩尔折射率

59.1464

极化性

23.672804

极化表面积

76.07

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

(2S,4R)-1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylateN-Boc-trans-4-hydroxy-L-proline methyl esterN-Boc-反式-4-羟基-L-脯氨酸甲酯Boc-Hyp-OMe(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-2-(methoxycarbonyl)pyrrolidine1-tert-Butyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylatetrans-1-(tert-Butoxycarbonyl)-4-hydroxy-L-proline methyl esterMethyl (4R)-N-Boc-4-hydroxy-L-prolinate(2S,4R)-1-Boc-4-hydroxy-L-proline Methyl EsterN-tert-Butoxycarbonyl-L-hydroxyproline Methyl Ester1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S-trans)-1-tert-Butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic Acid Methyl Ester(2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic Acid 1-tert-Butyl Ester 2-Methyl Ester(2S,4R)-4-Hydroxy-1,2-pyrrolidinedicarboxylic Acid 1-(1,1-Dimethylethyl) 2-Methyl Ester

IUPAC传统名

1-tert-butyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

IUPAC标准名

1-tert-butyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

名称和标识

数据登录号

MDL号

CAS号

PubChem SID

PubChem CID

数据登录号

化合物性质

产品相关信息

纯度

95%

97%

Empirical Formula (Hill Notation)

C11H19NO5

质检报告

下载链接

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

Sigma Aldrich

639737

包装
5 g in glass bottle

TRC

H656560

(2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic Acid 1-tert-Butyl Ester 2-Methyl Ester is used in the synthesis of For-Met-Leu-Phe-OMe (fMLF-OMe) analogues based on Met residue replacement by 4-amino-proline scaffold.

描述信息

参考文献

PubChem文献

数据源提供

• Freer, R., et al.: Biochemistry, 21, 257 (1982)

• Cavicchioni, G., et al.; Bioorg. Chem., 34, 298 (1982)

• Selvatici, R., et al.: Eur. J. Pharmacol., 534, 1 (1982)

• Higgins, J., et al.: J. Med. Chem., 39, 1013 (1982)

参考文献

生物活性

PubChem BioAssay

生物活性