((R)-5,5-Dimethyl-morpholin-2-yl)-acetic acid; hydrochloride | 160415-08-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: ((R)-5,5-Dimethyl-morpholin-2-yl)-acetic acid; hydrochloride
• 英文别名: 2-morpholineacetic acid, 5,5-dimethyl-, hydrochloride, (2R)-；2-[(2R)-5,5-dimethylmorpholin-2-yl]acetic acid;hydrochloride
• CAS: 160415-08-7
• 化学式: C₈H₁₅NO₃*ClH
• 分子量: 209.673
• InChiKey: QYYBBASPKHNBKA-FYZOBXCZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.65
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  58.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙醇 、 ((R)-5,5-Dimethyl-morpholin-2-yl)-acetic acid; hydrochloride 在 盐酸 作用下， 以 乙醚 为溶剂， 生成 ((R)-5,5-Dimethyl-morpholin-2-yl)-acetic acid ethyl ester; hydrochloride
  参考文献：
  名称：

  (−)-(R)-5,5-Dimethylmorpholinyl-2-acetic Acid Ethyl Ester Hydrochloride, C₁₀H₂₀NO₃⁺.Cl⁻

  摘要：

  One of the enantiomers of 5,5-dimethylmorpholinyl-2-acetic acid is observed to be a GABA(B) receptor antagonist. The absolute configuration of the inactive enantiomer is found to be the R configuration. The morpholine ring adopts a chair conformation with the acetic acid moiety in an equatorial position. In the crystal packing, hydrogen bonds are observed between the ammonium group and the chloride ions.

  DOI：

  10.1107/s0108270197004290

文献信息

• (−)-(<i>R</i>)-5,5-Dimethylmorpholinyl-2-acetic Acid Ethyl Ester Hydrochloride, C₁₀H₂₀NO₃⁺.Cl⁻
  作者：K. Frydenvang、S. J. Enna、P. Krogsgaard-Larsen

  DOI：10.1107/s0108270197004290

  日期：1997.8.15

  One of the enantiomers of 5,5-dimethylmorpholinyl-2-acetic acid is observed to be a GABA(B) receptor antagonist. The absolute configuration of the inactive enantiomer is found to be the R configuration. The morpholine ring adopts a chair conformation with the acetic acid moiety in an equatorial position. In the crystal packing, hydrogen bonds are observed between the ammonium group and the chloride ions.