HCID5166119

2-{[(Tert-butoxy)carbonyl]amino}pent-4-enoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid

C10H17NO4215.25 g/molCAS 119479-32-2

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IDENTITY

结构与身份

标准SMILES: C=CCC(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: BUPDPLXLAKNJMI-UHFFFAOYSA-N
分子式: C10H17NO4
平均分子量: 215.25 g/mol
单同位素质量: 215.11575802

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 75.6 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 6
重原子: 15
形式电荷: 0
复杂度: 255

GHS

GHS分类

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 37 条

2-{[(tert-butoxy)carbonyl]amino}pent-4-enoic acid2-(((tert-butoxy)carbonyl)amino)pent-4-enoic acidRefChem:447187845-933-1119479-32-22-((tert-Butoxycarbonyl)amino)pent-4-enoic acid2-(TERT-BUTOXYCARBONYLAMINO)PENT-4-ENOIC ACID4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-(Boc-amino)-4-pentenoic acidMFCD026824452-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic Acid2-((tert-Butoxycarbonyl)amino)pent-4-enoicacid2-[(tert-butoxycarbonyl)amino]pent-4-enoic acidBoc-D-Allylglycine.DCHABoc-l-beta-algL-Boc-Allylglycine2-(BOC-AMINO)PENT-4-ENOIC ACIDBoc-DL-Allyl-Gly-OHSCHEMBL212773DTXSID10409080

REACTIONS