结构:COC(=O)C(CCBr)NC(=O)OC(C)(C)C
HCID6857808

Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate

methyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C10H18BrNO4296.16 g/mol

IDENTITY

结构与身份

标准 SMILES
COC(=O)C(CCBr)NC(=O)OC(C)(C)C
InChIKey
MBWPBNACYMMIKZ-UHFFFAOYSA-N
分子式
C10H18BrNO4
平均分子量
296.16 g/mol
单同位素质量
295.04192

COMPUTED

结构计算性质

已同步
XLogP
2
极性表面积
64.6 Ų
氢键供体
1
氢键受体
4
可旋转键
7
重原子
16
形式电荷
0
复杂度
250

ALIASES

名称与别名

19
168077-38-12-(Boc-amino)-4-bromobutyric acid methyl ester2-(tert-butoxycarbonylamino)-4-bromobutanoic acid methyl esterMethyl 4-bromo-2-(tert-butoxycarbonylamino)butanoatemethyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoateMFCD18252756methyl (2S)-4-bromo-2-{[(tert-butoxy)carbonyl]amino}butanoateSCHEMBL937622MBWPBNACYMMIKZ-UHFFFAOYSA-NTGA07738AB71893DB-1152262-(Boc-amino)-4-bromobutyricacidmethylesterE87572EN300-64748444-Bromo-2-tert-butoxycarbonylaminobutyric acid methyl estermethyl 4-bromo-2-{[(tert-butoxy)carbonyl]amino}butanoate4-bromo-2-tert-butoxycarbonylamino-butyric acid methyl ester(S)-2-(TERT-BUTOXYCARBONYLAMINO)-4-BROMOBUTYRIC ACID METHYL ESTER

REACTIONS

参与反应

24
HRID154992

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 154992 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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