HCID49820754

Methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate

C11H12F3NO2247.21 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)CC(N)Cc1cc(F)c(F)cc1F
InChIKey: AWFWTEYDIPQVSG-UHFFFAOYSA-N
分子式: C11H12F3NO2
平均分子量: 247.21 g/mol
单同位素质量: 247.08201311

COMPUTED

结构计算性质

等待补全

XLogP: 1.4
极性表面积: 52.3 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 17
形式电荷: 0
复杂度: 265

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 16 条

methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate1253055-92-3MFCD27924150(R)-Sitagliptin Methyl-Ester ImpurityBenzenebutanoic acid, beta-amino-2,4,5-trifluoro-, methyl esterSCHEMBL571909SCHEMBL25663563AWFWTEYDIPQVSG-UHFFFAOYSA-NAKOS027254272AS-49464EN300-253400I10654F501334methyl3-amino-4-(2,4,5-trifluorophenyl)butanoateMethyl(3RS)-3-amino-4-(2,4,5-trifluorophenyl)butanoate3-Amino-4-(2,4,5-trifluoro-phenyl)-butyric acid methyl ester

REACTIONS