HCID23079381

Tert-butyl 3-(isoquinolin-5-ylamino)pyrrolidine-1-carboxylate

C18H23N3O2313.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCC(Nc2cccc3cnccc23)C1
InChIKey: AFKFDGPLOQZWBL-UHFFFAOYSA-N
分子式: C18H23N3O2
平均分子量: 313.4 g/mol
单同位素质量: 313.17902698

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 54.5 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 4
重原子: 23
形式电荷: 0
复杂度: 421

ALIASES

名称与别名

共 5 条

SCHEMBL528598AFKFDGPLOQZWBL-UHFFFAOYSA-NAKOS040808995tert-butyl 3-(isoquinolin-5-ylamino)pyrrolidine-1-carboxylatetert-butyl 3-[(isoquinolin-5-yl)amino]pyrrolidine-1-carboxylate

REACTIONS

参与反应

5 条

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 (3/10) · 10.1039/C8SC04228D

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uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08158796B2

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uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08158796B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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