HCID17455254

1-[(2-Furanylcarbonyl)amino]cyclohexanecarboxylic acid

1-(furan-2-carbonylamino)cyclohexane-1-carboxylic acid

C12H15NO4237.25 g/molCAS 63203-41-8

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IDENTITY

结构与身份

标准SMILES: O=C(NC1(C(=O)O)CCCCC1)c1ccco1
InChIKey: VRWUFITYIPKVFL-UHFFFAOYSA-N
分子式: C12H15NO4
平均分子量: 237.25 g/mol
单同位素质量: 237.10010796

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 79.5 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 3
重原子: 17
形式电荷: 0
复杂度: 310

ALIASES

名称与别名

共 12 条

63203-41-81-(Furan-2-carboxamido)cyclohexanecarboxylic acid1-[(2-Furanylcarbonyl)amino]cyclohexanecarboxylic acidSCHEMBL1843420DTXSID00589628VRWUFITYIPKVFL-UHFFFAOYSA-NAKOS000193474DB-1320911-(Furan-2-carboxamido)cyclohexane-1-carboxylic acidZ858881131-[(Furan-2-carbonyl)amino]cyclohexane-1-carboxylic acid1-[N-(furan-2-ylcarbonyl)amino]cyclohexanecarboxylic acid

REACTIONS

参与反应

14 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829209B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829209B2

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08481725B2

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08481725B2

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