CAS 26250-84-0|CAS 28697-17-8|(2R)-1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid|D-Pipecolinic acid, N-BOC protected|(2S)-1-[(tert-butoxy)carbonyl]piperidine-2-carboxylic acid|(2R)-Piperidine-...

基本信息

化学结构

分子式

C₁₁H₁₉NO₄

分子量

229.27286

精确质量

229.13140809

电荷

InChI

InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1

InChIKey

JQAOHGMPAAWWQO-QMMMGPOBSA-N

Canonic Smiles

OC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C

Isomeric Smiles

C1CN([C@@H](CC1)C(=O)O)C(=O)OC(C)(C)C

计算属性

JChem

Acid pKa

4.048332

质子受体

质子供体

LogD (pH = 5.5)

0.16748306

LogD (pH = 7.4)

-1.5000744

Log P

1.6306204

摩尔折射率

57.6604

极化性

22.755922

极化表面积

66.84

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

(2R)-1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acidD-Pipecolinic acid, N-BOC protected(2R)-Piperidine-2-carboxylic acid, N-BOC protectedN-Boc-L-哌啶-2-羧酸(S)-1-Boc-piperidine-2-carboxylic acidBoc-Pip-OHBoc-Pip-OHN-Boc-L-哌啶-2-甲酸N-Boc-L-pipecolinic acid(S)-1-Boc-哌啶-2-羧酸N-Boc-L-pipecolinic acid(S)-(-)-1-(tert-Butoxycarbonyl)-2-piperidinecarboxylic acid(S)-(-)-1-(叔丁氧羰基)-2-哌啶羧酸(S)-1-Boc-Piperidine-2-carboxylic acid(2S)-1-[(tert-butoxy)carbonyl]piperidine-2-carboxylic acidBoc-(S)-(-)-piperidine-2-carboxylic acid

IUPAC标准名

(2S)-1-[(tert-butoxy)carbonyl]piperidine-2-carboxylic acid

IUPAC传统名

(2S)-1-(tert-butoxycarbonyl)piperidine-2-carboxylic acid

名称和标识

数据登录号

Beilstein号

4800243652038

PubChem SID

2487388316100278324849545

MDL号

MFCD00151904MFCD00237380