N,N-bis(2,5-dioxopyrrolidin-1-ylmethyl)glycine | 228120-92-1

• 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: N,N-bis(2,5-dioxopyrrolidin-1-ylmethyl)glycine
• 英文别名: 2-[bis[(2,5-dioxopyrrolidin-1-yl)methyl]amino]acetic acid
• CAS: 228120-92-1
• 化学式: C₁₂H₁₅N₃O₆
• 分子量: 297.268
• InChiKey: QMIZZMQOBNVYFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  丁二酰亚胺 、 聚合甲醛 、 聚甘氨酸 反应 4.0h， 以70%的产率得到N,N-bis(2,5-dioxopyrrolidin-1-ylmethyl)glycine
  参考文献：
  名称：

  摘要：

  The preparation and molecular and crystal structures of the title compound are reported. The compound crystallizes in the triclinic space group P(1) over bar (No. 2) with unit cell dimensions of a = 7.2493(3) Angstrom, b = 8.9287(4) Angstrom, c = 10.6594(4) Angstrom, alpha = 90.419(3)degrees, beta = 91.287(3)degrees, gamma = 103.153(3)degrees, V = 671.62(5) Angstrom(3), and Z = 2. The molecular structure of the title compound consists of three sections, the glycine chain and the two 2,5-dioxopyrrolidin-1-ylmethyl groups. Every molecule is linked with three adjacent molecules through three hydrogen-bonding patterns which are 8-membered or 20-membered rings. The chain of rings appears periodically, which makes the molecule form a layer structure in the crystal.

  DOI：

  10.1023/a:1021109229550