HCID560340

4-Fluoropyrrolidine-2-carboxylic acid

C5H8FNO2133.12 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: O=C(O)C1CC(F)CN1
InChIKey: ZIWHMENIDGOELV-UHFFFAOYSA-N
分子式: C5H8FNO2
平均分子量: 133.12 g/mol
单同位素质量: 133.05390666

COMPUTED

结构计算性质

已同步

XLogP: -2.3
极性表面积: 49.3 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 128

ALIASES

名称与别名

共 23 条

4-fluoropyrrolidine-2-carboxylic acid7553-49-3cis-4-Fluoro-L-prolineMFCD13186773Proline, 4-fluoro-,labeled with tritium, trans- (9CI)C5H8FNO2(2S,4S)-4-Fluoro-pyrrolidine-2-carboxylic acidSCHEMBL187963rel-((2S,4R)-4-Fluoropyrrolidine-2-carboxylic acid),labeled with tritium(2S,4R)-4-Fluoro-pyrrolidine-2-carboxylic acid;(2S,4R)-4-Fluoropyrrolidine-2-carboxylic acid4-fluoropyrrolidine-2-carboxylicacidAKOS023599763AB12544SB11281SB11551SB11934SB11975PD197170SY348688DB-013550

REACTIONS

参与反应

2 条

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

查看

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

查看