CAS 4530-20-5|[(tert-butoxycarbonyl)amino]acetic acid|2-{[(tert-butoxy)carbonyl]amino}acetic acid|Boc-Glycine|Boc-glycine|N-(tert-Butoxycarbonyl)glycine|Boc-Gly-OH|BOC-甘氨酸|N-(叔丁氧羰基)甘氨酸|Bo...

基本信息

化学结构

分子式

C₇H₁₃NO₄

分子量

175.18242

精确质量

175.0844579

电荷

InChI

InChI=1S/C7H13NO4/c1-7(2,3)12-6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)

InChIKey

VRPJIFMKZZEXLR-UHFFFAOYSA-N

Canonic Smiles

O=C(OC(C)(C)C)NCC(=O)O

Isomeric Smiles

C(=O)(CNC(=O)OC(C)(C)C)O

计算属性

JChem

Acid pKa

3.9416509

质子受体

质子供体

LogD (pH = 5.5)

-1.2209544

LogD (pH = 7.4)

-2.8469536

Log P

0.34462184

摩尔折射率

40.8764

极化性

16.180851

极化表面积

75.63

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

IUPAC标准名

2-{[(tert-butoxy)carbonyl]amino}acetic acid

别名

Boc-GlycineN-(tert-Butoxycarbonyl)glycineBoc-glycineBoc-Gly-OHBOC-甘氨酸N-(叔丁氧羰基)甘氨酸Boc-Gly-OHN-t-BOC-GLYCINEBoc-Gly-OH[(tert-butoxycarbonyl)amino]acetic acidN-t-ButyloxycarbonylglycineNα-tert-Butyloxycarbonylglycine2-(tert-Butoxycarbonylamino)acetic AcidNSC 127669N-[(tert-Butyloxy)carbonyl]glycineN-Boc-glycineN-[[(1,1-Dimethylethyl)oxy]carbonyl]glycineN-Boc-甘氨酸N-BOC-glycineN-carboxyglycine N-tert-Butyl Ester2-((tert-Butoxycarbonyl)amino)acetic acidN-[(1,1-Dimethylethoxy)carbonyl]glycine(tert-Butoxycarbonyl)aminoacetic AcidN-Boc-glycine

名称和标识

数据登录号

PubChem SID

1620355212484816224849413

PubChem CID

CAS号

MDL号

EC号