2-[methyl-[(E)-N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-[(Z)-1-[(2-methylpropan-2-yl)oxy]prop-1-enyl]carbamimidoyl]amino]acetic acid

• 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: 2-[methyl-[(E)-N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-[(Z)-1-[(2-methylpropan-2-yl)oxy]prop-1-enyl]carbamimidoyl]amino]acetic acid
• 化学式: C₁₆H₂₉N₃O₅
• 分子量: 343.42
• InChiKey: ARRLTNSMZJQTQW-LUAWRHEFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] A METHOD OF SYNTHESIZING CREATINE DERIVATIVES<br/>[FR] PROCÉDÉ DE SYNTHÈSE DE DÉRIVÉS DE CRÉATINE
  申请人：UNIV DEGLI STUDI GENOVA

  公开号：WO2014097335A1

  公开（公告）日：2014-06-26

  A method of synthesizing (Boc)2-creatine derivatives of formula (III) which comprises a first step in which a sarcosine ester is reacted with a guanylating agent comprising two nitrogen atoms each protected with a t-butoxycarbonyl (t-Boc) group to form a (Boc)2- creatine ester, and a second step in which the (Boc)2-creatine ester is subjected basic hydrolysis to form (Boc)2-creatine of formula (III) is described. The (Boc)2-creatine so obtained can be used in methods of synthesizing creatine and phosphocreatine derivatives in which the free carboxyl group of the creatine is conjugated with a desired molecule.