Benzenepropanoic acid, 2-(1,1-dimethylethyl)- | 1261445-63-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: Benzenepropanoic acid, 2-(1,1-dimethylethyl)-
• 英文别名: 3-(2-tert-butylphenyl)propanoic acid
• CAS: 1261445-63-9
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.28
• InChiKey: QQXJIRRQQQWSGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES<br/>[FR] AGENTS ANTIBACTÉRIENS : DÉRIVÉS DU PHLOROGLUCINOL
  申请人：UNIV RUTGERS

  公开号：WO2013103969A1

  公开（公告）日：2013-07-11

  The invention provides a compound of formula I: or a salt thereof, wherein R1-R3 have any of the values described in the specification, as well as compositions comprising a compound of formula I. The compounds are useful as antibacterial agents.

  本发明提供了化合物I的公式：或其盐，其中R1-R3具有规范中描述的任何值，以及包含化合物I的组合物。这些化合物可用作抗菌剂。
• ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES
  申请人：Rutgers, the State University of New Jersey

  公开号：US20150011647A1

  公开（公告）日：2015-01-08

  The invention provides a compound of formula I: or a salt thereof, wherein R 1 -R 3 have any of the values described in the specification, as well as compositions comprising a compound of formula I. The compounds are useful as antibacterial agents.
• BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED

  公开号：US20180194799A1

  公开（公告）日：2018-07-12

  The present invention relates to compounds characterized by having a structure according to the following Formula I: or a pharmaceutically acceptable salt thereof. Compounds of the present invention are useful for the treatment or prevention of HIV.
• US9517994B2
  申请人：——

  公开号：US9517994B2

  公开（公告）日：2016-12-13