HCID58293301

3-Methyl-1,6-diazaspiro[3.4]octane-1-carboxylic acid tert-butyl ester

tert-butyl 3-methyl-1,7-diazaspiro[3.4]octane-1-carboxylate

C12H22N2O2226.32 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1CN(C(=O)OC(C)(C)C)C12CCNC2
InChIKey: OZOZIMUSRCCJCZ-UHFFFAOYSA-N
分子式: C12H22N2O2
平均分子量: 226.32 g/mol
单同位素质量: 226.16812795

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 41.6 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 298

ALIASES

名称与别名

共 6 条

SCHEMBL1949349OZOZIMUSRCCJCZ-UHFFFAOYSA-NDB-160194Tert-butyl 3-methyl-1,6-diazaspiro[3.4]octane-1-carboxylate3-methyl-1,6-diazaspiro[3.4]octane-1-carboxylic acid tert-butyl ester1263774-39-5

REACTIONS

参与反应

4 条

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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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08609647B2

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08609647B2

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