213316-50-8 ((1R,2S)-REL-1-[[(1,1-二甲基乙氧基)羰基]氨基]-2-乙烯基-环丙羧酸,cis-1-(tert-butoxycarbonylamino)-2-vinyl-cyclopropanecarboxylic acid)

CAS号:
213316-50-8
中文名称:
(1R,2S)-REL-1-[[(1,1-二甲基乙氧基)羰基]氨基]-2-乙烯基-环丙羧酸
英文名称:
cis-1-(tert-butoxycarbonylamino)-2-vinyl-cyclopropanecarboxylic acid
分子式:
C11H17NO4
分子量:
227.2569835186

(1R,2S)-REL-1-[[(1,1-二甲基乙氧基)羰基]氨基]-2-乙烯基-环丙羧酸(213316-50-8)名称与标识符

名称

中文别名:
(1R,2S)-REL-1-[[(1,1-二甲基乙氧基)羰基]氨基]-2-乙烯基-环丙羧酸;
英文别名:
Cyclopropanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)-rel-;cis-1-(tert-butoxycarbonylamino)-2-vinyl-cyclopropanecarboxylic acid;A846770;(1R,2S)-1-(Boc-amino)-2-vinylcyclopropanecarboxylic acid;rel-(1R,2S)-1-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid;(1R,2S)-1-(tert-butoxycarbonylamino)-2-vinyl-cyclopropanecarboxylic acid;RFAQWADNTLIWMG-RDDDGLTNSA-N;(1R,2S)-1-Boc-2-vinylcyclopropanecarboxylic acid;VINYL ACCA;(1R,2S)-1-((tert-Butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic acid;(1R,2S)-1-(TERT-BUTOXYCARBONYLAMINO)-2-VINYLCYCLOPROPANECARBOXYLIC ACID;(1R,2S)-Rel-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic acid;(1R,2S)-1-[(tert-Butoxycarbonyl)amino]-2-ethenylcyclopropane-1-carboxylic acid;AKOS015893032;AKOS015994878;159622-10-3;Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)-;CS-B0185;(1R,2S)-1-(tert-Butoxycarbonyl)amino-2-vinylcyclopropanecarboxylic Acid;D77334;(1R,2S)-1-tert-Butoxycarbonylamino-2-vinylcyclopropanecarboxylic acid;B5322;(1R,2S)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic acid;(1R,2S)-1-(tert-Butoxycarbonylamino)-2-vinyl-cyclopropane-1-carboxylic acid;(1R,2S)-1-{[(tert-Butoxy)carbonyl]amino}-2-ethenylcyclopropane-1-carboxylic acid;MFCD11042412;starbld0009780;DTXSID60438941;(1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;1(R)-tert-butoxycarbonylamino-2(S)-vinyl-cyclopropanecarboxylic acid;DS-8248;(1R,2S)-1-tert-Butoxycarbonylamino-2-vinyl-cyclopropanecarboxylic acid;Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)-rel-;(1R,2S)-1-[(tert-butoxycarbonyl)amino]-2-vinylcyclopropanecarboxylic acid;(1R,2S)-1-[(tert-butoxycarbonyl)amino]-2-ethenylcyclopropanecarboxylic acid;SCHEMBL312680;J-500308;N-Boc-(1R,2S)-1-amino-2-vinylcyclopropane carboxylic acid;1(R)-tert-butoxycarbonylamino-2(S)-vinylcyclopropanecarboxylic acid;(1R,2S)-1-tert-Butoxycarbonylamino-2-vinyl-cyclopropane-carboxylic acid;213316-50-8;(R)-tert-butoxycarbonylamino-2(S)-vinyl-cyclopropanecarboxylic acid;AMY10154;rel-(1R,2S)-1-((tert-Butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic acid;(1R,2R)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic acid;DB-009089;

标识符

InChIKey:
RFAQWADNTLIWMG-RDDDGLTNSA-N
Inchi:
1S/C11H17NO4/c1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,12,15)(H,13,14)/t7-,11-/m1/s1
SMILES:
OC([C@]1(C[C@H]1C=C)NC(=O)OC(C)(C)C)=O

(1R,2S)-REL-1-[[(1,1-二甲基乙氧基)羰基]氨基]-2-乙烯基-环丙羧酸(213316-50-8)物化性质

实验特性

  • LogP : 1.93130
  • PSA : 75.63000

计算特性

  • 精确分子量 : 227.11575802g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 227.11575802g/mol
  • 重原子数量 : 16
  • 复杂度 : 331
  • 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 : 75.6Ų

(1R,2S)-REL-1-[[(1,1-二甲基乙氧基)羰基]氨基]-2-乙烯基-环丙羧酸(213316-50-8)推荐厂家 更多厂家(9)