(2R)-1-N-benzyl-2-N-[2-methyl-1-(methylcarbamoylamino)propan-2-yl]pyrrolidine-1,2-dicarboxamide | 1310490-50-6

• 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: (2R)-1-N-benzyl-2-N-[2-methyl-1-(methylcarbamoylamino)propan-2-yl]pyrrolidine-1,2-dicarboxamide
• CAS: 1310490-50-6
• 化学式: C₁₉H₂₉N₅O₃
• 分子量: 375.471
• InChiKey: RVIXKUKINCRKSY-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  103
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (2R)-1-N-benzyl-2-N-[2-methyl-1-(methylcarbamoylamino)propan-2-yl]pyrrolidine-1,2-dicarboxamide
  参考文献：
  名称：

  A Nonpeptidic Reverse-Turn Scaffold Stabilized by Urea-Based Dual Intramolecular Hydrogen Bonding

  摘要：

  A novel nonpeptidic reverse-turn scaffold containing urea fragments that are connected by a conformationally constrained D-prolyl-cis-1,2-diaminocyclohexane (D-Pro-DACH) linker is reported. The scaffold adopts a well-defined reverse-turn conformation that is stabilized by dual intramolecular hydrogen bonding in both solution and solid states.

  DOI：

  10.1021/ol201247x

文献信息

• A Nonpeptidic Reverse-Turn Scaffold Stabilized by Urea-Based Dual Intramolecular Hydrogen Bonding
  作者：Amiya K. Medda、Chul Min Park、Aram Jeon、Hyunwoo Kim、Jeong-Hun Sohn、Hee-Seung Lee

  DOI：10.1021/ol201247x

  日期：2011.7.1

  A novel nonpeptidic reverse-turn scaffold containing urea fragments that are connected by a conformationally constrained D-prolyl-cis-1,2-diaminocyclohexane (D-Pro-DACH) linker is reported. The scaffold adopts a well-defined reverse-turn conformation that is stabilized by dual intramolecular hydrogen bonding in both solution and solid states.