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

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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 Å²
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

共 38 条

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 条

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

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

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

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

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

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

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uspto-grants-2007_01 · 10.6084/m9.figshare.5104873.v1 · US07157092B1

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uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07799762B2

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