HCID102884

tert-butyl L-prolinate

tert-butyl pyrrolidine-2-carboxylate

C9H17NO2171.24 g/molCAS 2812-46-6

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)C1CCCN1
InChIKey: XJJBXZIKXFOMLP-UHFFFAOYSA-N
分子式: C9H17NO2
平均分子量: 171.24 g/mol
单同位素质量: 171.12592879

COMPUTED

结构计算性质

等待补全

XLogP: 1.1
极性表面积: 38.3 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 172

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 25 条

tert-Butyl L-prolinateRefChem:1099580220-558-0tert-butyl pyrrolidine-2-carboxylatetert-butyl prolinate113131-45-6MFCD12766679pyrrolidine-2-carboxylic acid tert-butyl esterProline1,1-diMethylethylesterSCHEMBL248746SCHEMBL1901073SCHEMBL3664438SCHEMBL10419729SCHEMBL16538455SCHEMBL20766890DTXSID40950858XJJBXZIKXFOMLP-UHFFFAOYSA-Ntert-butylpyrrolidine-2-carboxylateEINECS 220-558-0AKOS010135091

REACTIONS

参与反应

30 条

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 (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 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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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 (8/10) · 10.1039/C8SC04228D

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07700632B2

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