HCID49760559

trans-1-(2,5-Dioxopyrrolidin-1-yl) 4-methyl cyclohexane-1,4-dicarboxylate

4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl cyclohexane-1,4-dicarboxylate

C13H17NO6283.28 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C1CCC(C(=O)ON2C(=O)CCC2=O)CC1
InChIKey: UTLSJGBTNAGAMG-UHFFFAOYSA-N
分子式: C13H17NO6
平均分子量: 283.28 g/mol
单同位素质量: 283.10558726

COMPUTED

结构计算性质

已同步

XLogP: 0.3
极性表面积: 90 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 5
重原子: 20
形式电荷: 0
复杂度: 422

ALIASES

名称与别名

共 14 条

936901-99-4trans-1-(2,5-Dioxopyrrolidin-1-yl) 4-methyl cyclohexane-1,4-dicarboxylate4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl cyclohexane-1,4-dicarboxylateTrans-1-(2,5-dioxopyrrolidin-1-yl)4-methylcyclohexane-1,4-dicarboxylate-D28515SCHEMBL594081SCHEMBL594082UTLSJGBTNAGAMG-KYZUINATSA-N1-(2,5-Dioxopyrrolidin-1-yl) 4-methyl cyclohexane-1,4-dicarboxylateMFCD16039606trans-1-(2,5-Dioxopyrrolidin-1-yl)4-methylcyclohexane-1,4-dicarboxylatemethyl trans-4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}cyclohexanecarboxylateA1-01321O4-(2,5-dioxopyrrolidin-1-yl) O1-methyl cyclohexane-1,4-dicarboxylate1-(2,5-dioxopyrrolidin-1-yl) 4-methyl (1r,4r)-cyclohexane-1,4-dicarboxylate

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 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 (5/10) · 10.1039/C8SC04228D

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