2-(4-hydroxy-butyrylamino)-ethanesulfonic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-(4-hydroxy-butyrylamino)-ethanesulfonic acid
• 英文别名: 2-(4-Hydroxy-butyrylamino)-aethansulfonsaeure；N-(4-Hydroxy-butyryl)-taurin；2-(4-Hydroxybutanoylamino)ethanesulfonic acid；2-(4-hydroxybutanoylamino)ethanesulfonic acid
• 化学式: C₆H₁₃NO₅S
• 分子量: 211.239
• InChiKey: HEHFXRUIJHLADW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(4-nitrophenoxy)butanoic acid 、 sodium taurinate 生成 2-(4-hydroxy-butyrylamino)-ethanesulfonic acid
  参考文献：
  名称：

  牛磺酸和β-丙氨酸的衍生物。

  摘要：

  DOI：

  10.1021/ja01202a511

文献信息

• Studies in Chemotherapy. XV. Amides of Pantoyltaurine¹
  作者：R. Winterbottom、J. W. Clapp、W. H. Miller、J. P. English、R. O. Roblin

  DOI：10.1021/ja01198a047

  日期：1947.6
• Moss; Urist; Martin, Archives of Biochemistry, 1948, vol. 19, p. 213,214
  作者：Moss、Urist、Martin

  DOI：——

  日期：——
• Gamma-hydroxy-n-butyryl taurine and salts thereof
  申请人：NAT DRUG COMPANY

  公开号：US02465737A1

  公开（公告）日：1949-03-29
• TASTE-MODIFIED CREATINE SALTS, COMPOUNDS, COMPOSITIONS AND USES THEREOF
  申请人：Augusta University Research Institute, Inc.

  公开号：US20200148632A1

  公开（公告）日：2020-05-14

  Provided are embodiments of creatine and creatine ethyl ester (CEE) salts where the anion is an artificial (non-saccharide) taste-modifier. These compounds represent stable white non-hygroscopic solids or semisolids that can readily dissolve in water and buffer solutions. Synthesis of novel creatine salts using environmentally safe solvents such as ethanol resulted in the formation of products in quantitative yields with sodium or potassium chloride as a byproduct. The creatine and creatine alkyl eater derivative salts are stable sweet-tasting compounds that are more palatable to a consumer than creatine or derivatives thereof.