(S)-tert-butyl 2-((S)-pyrrolidin-3-ylamino)propanoate hydrochloride | 1316848-08-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-tert-butyl 2-((S)-pyrrolidin-3-ylamino)propanoate hydrochloride
• 英文别名: tert-butyl (2S)-2-[[(3S)-pyrrolidin-3-yl]amino]propanoate;hydrochloride
• CAS: 1316848-08-4
• 化学式: C₁₁H₂₂N₂O₂*ClH
• 分子量: 250.769
• InChiKey: NEJLYCMJEHHUTG-OZZZDHQUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.09
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  50.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  L-丙氨酸叔丁酯盐酸盐 在 盐酸 、 palladium 10% on activated carbon 、 氢气 、 sodium carbonate 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 、 氯仿 、 异丙醇 为溶剂， 反应 14.17h， 生成 (S)-tert-butyl 2-((S)-pyrrolidin-3-ylamino)propanoate hydrochloride
  参考文献：
  名称：

  Pyrrolinone–Pyrrolidine Oligomers as Universal Peptidomimetics

  摘要：

  Peptidomimetics 1-3 were prepared from amino acid-derived tetramic acids 7 as the key starting materials. Calculations show that preferred conformations of 1 can align their side-chain vectors with amino acids in common secondary structures more effectively than conformations of 3. A good fit was found for a preferred conformation of 2 (an extended derivative of 1) with a sheet/beta-turn/sheet motif.

  DOI：

  10.1021/ja2033734

文献信息

• PEPTIDOMIMETIC COMPOUNDS AND RELATED METHODS
  申请人：Burgess Kevin

  公开号：US20130288331A1

  公开（公告）日：2013-10-31

  Provided herein are compounds and methods of using same for the perturbation and/or inhibition of protein-protein interactions. Also provided herein is a data mining method useful for the identification of protein-protein interactions that may be inhibited by these compounds.
• Pyrrolinone–Pyrrolidine Oligomers as Universal Peptidomimetics
  作者：Arjun Raghuraman、Eunhwa Ko、Lisa M. Perez、Thomas R. Ioerger、Kevin Burgess

  DOI：10.1021/ja2033734

  日期：2011.8.17

  Peptidomimetics 1-3 were prepared from amino acid-derived tetramic acids 7 as the key starting materials. Calculations show that preferred conformations of 1 can align their side-chain vectors with amino acids in common secondary structures more effectively than conformations of 3. A good fit was found for a preferred conformation of 2 (an extended derivative of 1) with a sheet/beta-turn/sheet motif.