结构:CC(C)(C)OC(=O)NC(CCO)C(=O)O
HCID4118627

2-(((Tert-butoxy)carbonyl)amino)-4-hydroxybutanoic acid

4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C9H17NO5219.23 g/molCAS 38308-92-8

IDENTITY

结构与身份

标准 SMILES
CC(C)(C)OC(=O)NC(CCO)C(=O)O
InChIKey
PZEMWPDUXBZKJN-UHFFFAOYSA-N
分子式
C9H17NO5
平均分子量
219.23 g/mol
单同位素质量
219.11067264

COMPUTED

结构计算性质

已同步
XLogP
0.2
极性表面积
95.9 Ų
氢键供体
3
氢键受体
5
可旋转键
6
重原子
15
形式电荷
0
复杂度
233

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

38
38308-92-82-{[(tert-butoxy)carbonyl]amino}-4-hydroxybutanoic acid2-(((Tert-butoxy)carbonyl)amino)-4-hydroxybutanoic acidRefChem:447160826-400-2Boc-DL-homoserineBoc-DL-Homoser-OH4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic AcidMFCD02682671DL-Homoserine, N-[(1,1-dimethylethoxy)carbonyl]-(R)-2-((tert-Butoxycarbonyl)amino)-4-hydroxybutanoic acidBoc-Homoser-OHn-t-boc-l-homoserine(tert-butoxycarbonyl)homoserineBoc-D-Homoser-OHBoc-DL-Hoser-OH(t-Butoxycarbonyl)homoserineSCHEMBL205237N-t-butoxycarbonyl DL-homoserinePZEMWPDUXBZKJN-UHFFFAOYSA-N

REACTIONS

参与反应

11
HRID112877

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 112877 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID941295

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 941295 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1115320

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物
HRID 1115320 方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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HRID1202772

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物
HRID 1202772 方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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HRID1239351

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物
HRID 1239351 方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看条件与参与物