HCID59261068

2,2-dimethyl-3-(N-Boc-piperidine-4-yl)-propionic acid methyl ester

tert-butyl 4-(3-methoxy-2,2-dimethyl-3-oxopropyl)piperidine-1-carboxylate

C16H29NO4299.41 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C(C)(C)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: QQYVLBBEJNKOBF-UHFFFAOYSA-N
分子式: C16H29NO4
平均分子量: 299.41 g/mol
单同位素质量: 299.20965841

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 55.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 6
重原子: 21
形式电荷: 0
复杂度: 376

ALIASES

名称与别名

共 4 条

SCHEMBL595189QQYVLBBEJNKOBF-UHFFFAOYSA-N2,2-dimethyl-3-(N-Boc-piperidine-4-yl)-propionic acid methyl estertert-butyl 4-(3-methoxy-2,2-dimethyl-3-oxopropyl)piperidine-1-carboxylate

REACTIONS

参与反应

10 条

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08058299B2

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08058299B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07700591B2

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08115011B2

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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08115011B2

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