3-cyanomethyl-4-methyl-valeric acid ethyl ester

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-cyanomethyl-4-methyl-valeric acid ethyl ester
• 英文别名: 3-Cyanmethyl-4-methyl-valeriansaeure-aethylester；Ethyl 3-(cyanomethyl)-4-methylpentanoate；ethyl 3-(cyanomethyl)-4-methylpentanoate
• 化学式: C₁₀H₁₇NO₂
• 分子量: 183.25
• InChiKey: SQOHQFREQHNWLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  sodium cyanoacetic acid ethyl ester 、 alkaline earth salt of/the/ methylsulfuric acid 生成 3-cyanomethyl-4-methyl-valeric acid ethyl ester
  参考文献：
  名称：

  Howles; Thorpe; Udall, Journal of the Chemical Society, 1900, vol. 77, p. 944

  摘要：

  DOI：

文献信息

• Heterocyclic Compounds as Janus Kinase Inhibitors
  申请人：Babu Yarlagadda S.

  公开号：US20130071415A1

  公开（公告）日：2013-03-21

  The invention provides compounds of formula I: or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula I, processes for preparing compounds of formula I, intermediates useful for preparing compounds of formula I and therapeutic methods for suppressing an immune response or treating cancer or a hematologic malignancy using compounds of formula I.
• Howles; Thorpe; Udall, Journal of the Chemical Society, 1900, vol. 77, p. 944
  作者：Howles、Thorpe、Udall

  DOI：——

  日期：——