540501-56-2 (tert-butyl (2S,4S)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate,Tert-butyl (2s,4s)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate)

CAS号:
540501-56-2
中文名称:
tert-butyl (2S,4S)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
英文名称:
Tert-butyl (2s,4s)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
分子式:
C11H21NO3
分子量:
215.289343595505

tert-butyl (2S,4S)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate(540501-56-2)名称与标识符

名称

英文别名:
tert-butyl (2S,4S)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate;SureCN116328;N-tert-butyloxycarbonyl-(2S,4S)-2-hydroxymethyl-4-methylpyrrolidine;1-PYRROLIDINECARBOXYLIC ACID, 2-(HYDROXYMETHYL)-4-METHYL-, 1,1-DIMETHYLETHYL ESTER, (2S,4S)-;(2S,4S)-tert-butyl 2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate;PB16740;(2S,4S)-1-Boc-2-hydroxymethyl-4-methylpyrrolidine;1-Boc-2-hydroxyMethyl-4-M...;1-Boc-2-hydroxymethyl-4-methylpyrrolidine;540501-56-2;t-Butyl cis-2-(hydroxymethyl)-4-methyl-pyrrolidine-1-carboxylate;MTGCHOAIXJTLDT-IUCAKERBSA-N;SCHEMBL116328;MFCD27997503;TERT-BUTYL CIS-2-(HYDROXYMETHYL)-4-METHYL-PYRROLIDINE-1-CARBOXYLATE;tert-butyl (2S,4S)-2-(hydroxymethyl)-4-methyl-pyrrolidine-1-carboxylate;(2S,4S)-4-methyl-N-(t-butoxycarbonyl)prolinol;MFCD18071966;cis-tert-butyl-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate;CS-0054710;D79539;(2S,4S)-1-Boc-2-(hydroxymethyl)-4-methylpyrrolidine;

标识符

MDL:
MFCD18071966
InChIKey:
MTGCHOAIXJTLDT-IUCAKERBSA-N
Inchi:
1S/C11H21NO3/c1-8-5-9(7-13)12(6-8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m0/s1
SMILES:
O(C(C)(C)C)C(N1C[C@@H](C)C[C@H]1CO)=O

tert-butyl (2S,4S)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate(540501-56-2)物化性质

实验特性

  • LogP : 1.56210
  • PSA : 49.77000

计算特性

  • 精确分子量 : 215.15200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 4
  • 同位素质量 : 215.15214353g/mol
  • 重原子数量 : 15
  • 复杂度 : 235
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.4
  • 拓扑分子极性表面积 : 49.8Ų

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