HCID21036429

racemic (1S,4R,7R)-4-methyl-8-oxa-3-aza-bicyclo[5.1.0]octane-3-carboxylic acid benzyl ester

benzyl 4-methyl-8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate

C15H19NO3261.32 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1CCC2OC2CN1C(=O)OCc1ccccc1
InChIKey: DGEXKPJDVGYJKO-UHFFFAOYSA-N
分子式: C15H19NO3
平均分子量: 261.32 g/mol
单同位素质量: 261.13649347

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 42.1 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 327

ALIASES

名称与别名

共 4 条

SCHEMBL4317826DGEXKPJDVGYJKO-UHFFFAOYSA-Nracemic (1S,4R,7R)-4-methyl-8-oxa-3-aza-bicyclo[5.1.0]octane-3-carboxylic acid benzyl esterracemic (1S,4R,7S)-4-methyl-8-oxa-3-aza-bicyclo[5.1.0]octane-3-carboxylic acid benzyl ester

REACTIONS

相关反应

5 条

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07563784B2

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uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07563784B2

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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 (5/10) · 10.1039/C8SC04228D

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uspto-grants-2006_07 · 10.6084/m9.figshare.5104873.v1 · US07071184B2

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