2-ethyl-2-methyl-hexanoic acid 3-morpholin-4-yl-propyl ester | 32051-69-7

• 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: 2-ethyl-2-methyl-hexanoic acid 3-morpholin-4-yl-propyl ester
• 英文别名: 3-Morpholin-4-ylpropyl 2-ethyl-2-methylhexanoate
• CAS: 32051-69-7
• 化学式: C₁₆H₃₁NO₃
• 分子量: 285.427
• InChiKey: DNLYSLPQXZSJRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.86
• 重原子数：
  20.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  38.77
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4-(3-羟丙基)吗啉 、 2-ethyl-2-methyl-hexanoyl chloride 生成 2-ethyl-2-methyl-hexanoic acid 3-morpholin-4-yl-propyl ester
  参考文献：
  名称：

  Lespagnol,A. et al., Chimica Therapeutica, 1970, vol. 5, p. 318 - 320

  摘要：

  DOI：

文献信息

• NEPRILYSIN INHIBITORS
  申请人：THERAVANCE BIOPHARMA R&D IP, LLC

  公开号：US20210079017A1

  公开（公告）日：2021-03-18

  In one aspect, the invention relates to compounds having the formula: where R 1 -R 6 , a, b, and X are as defined in the specification, or a pharmaceutically acceptable salt thereof. These compounds have neprilysin inhibition activity. In another aspect, the invention relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and processes and intermediates for preparing such compounds.