HRID110412
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物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
- XLogP
- 1.1
- 极性表面积
- 76.1 Ų
- 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
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
HRID822732
Test data from https://doi.org/10.1039/C8SC04228D
作为反应物
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看条件与参与物HRID958440
Validation data from https://doi.org/10.1039/C8SC04228D
作为反应物
Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看条件与参与物HRID1202049
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看条件与参与物HRID2157160
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
查看条件与参与物