CAS 148928-15-8|Fmoc-piperidine-4-carboxylic acid|1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-4-carboxylic acid|1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-4-carboxylic acid|1-[(9H-fluoren-9-y...

基本信息

化学结构

分子式

C₂₁H₂₁NO₄

分子量

351.39574

精确质量

351.14705816

电荷

InChI

InChI=1S/C21H21NO4/c23-20(24)14-9-11-22(12-10-14)21(25)26-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24)

InChIKey

OJYOOHSQOIDDOO-UHFFFAOYSA-N

Canonic Smiles

OC(=O)C1CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2

Isomeric Smiles

C1CN(CCC1C(=O)O)C(=O)OCC1c2c(c3c1cccc3)cccc2

计算属性

JChem

Acid pKa

4.055771

质子受体

质子供体

LogD (pH = 5.5)

1.8393404

LogD (pH = 7.4)

0.16914363

Log P

3.2953563

摩尔折射率

97.2772

极化性

38.790695

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

Fmoc-piperidine-4-carboxylic acid1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-4-carboxylic acid1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-4-carboxylic acid 97%FMOC-ISONIPECOTIC ACID1-[(9-H-芴-9-甲氧基)羰基]哌啶-4-甲酸1-Fmoc-piperidine-4-carboxylic acidFmoc-Inp-OH

IUPAC标准名

1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-4-carboxylic acid 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidine-4-carboxylic acid

IUPAC传统名

1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-4-carboxylic acid

名称和标识

数据登录号

Beilstein号

7722550

PubChem SID

24844912161002812

MDL号

MFCD00273475