HCID325313

1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate

1-O-benzyl 2-O-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate

C14H17NO5279.29 g/molCAS 64187-48-0

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IDENTITY

结构与身份

标准SMILES: COC(=O)C1CC(O)CN1C(=O)OCc1ccccc1
InChIKey: VVKAGQHUUDRPOI-UHFFFAOYSA-N
分子式: C14H17NO5
平均分子量: 279.29 g/mol
单同位素质量: 279.11067264

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 76.1 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 20
形式电荷: 0
复杂度: 353

ALIASES

名称与别名

共 17 条

1-benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate92246-88-3N-Cbz-L-4-Hydroxyproline methyl esterNSC293847SCHEMBL636507O1-Benzyl O2-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylateDTXSID30982724AKOS023599747NSC-293847PB26538PB32108SB18510Z-L-trans-4-hydroxyproline methyl esterLS-14303EN300-2974061-benzyl2-methyl4-hydroxypyrrolidine-1,2-dicarboxylateO1-benzyl O2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate

REACTIONS

参与反应

7 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 (3/10) · 10.1039/C8SC04228D

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

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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

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