1428243-24-6 (((3R,4S)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid)

CAS号:
1428243-24-6
英文名称:
(3R,4S)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid
分子式:
C15H19NO4
分子量:
277.3156645298

(3R,4S)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid(1428243-24-6)名称与标识符

名称

中文别名:
(3R,4S)-4-乙基-1,3- 吡咯烷二甲酸 1-苄酯;
英文别名:
rel-(3R,4S)-1-[(Benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid;(3R,4S)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid;(3R,4S)-1-((Benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylic acid;SB18286;SB18285;(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethyl ester;DTXSID501140955;AKOS037646945;rel-1-(Phenylmethyl) (3R,4S)-4-ethyl-1,3-pyrrolidinedicarboxylate;MFCD30861467;1-(Phenylmethyl) (3R,4S)-4-ethyl-1,3-pyrrolidinedicarboxylate;Cis-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylicacid;(3R,4S)-1-Cbz-4-ethylpyrrolidine-3-carboxylic Acid;W19674;CIS-1-((BENZYLOXY)CARBONYL)-4-ETHYLPYRROLIDINE-3-CARBOXYLIC ACID;rac-(3R,4S)-1-[(BenZyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid;1,3-Pyrrolidinedicarboxylic acid, 4-ethyl-, 1-(phenylmethyl) ester, (3R,4S)-;E83425;1,3-Pyrrolidinedicarboxylic acid, 4-ethyl-, 1-(phenylmethyl) ester, (3R,4S)-rel-;CS-0056830;1-[(Benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid, (3R,4S)-;(3R,4S)-4-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid;1-[(Benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid, (3R,4S)-rel-;SCHEMBL14778856;UBE83UC73A;9RCJ43G3K5;cis-1-Cbz-4-ethylpyrrolidine-3-carboxylicacid;1428243-24-6;AS-71633;DB-200233;1428243-23-5;MFCD30802575;(3R,4S)-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylate;

标识符

MDL:
MFCD30802575
InChIKey:
LKPALAXKZXXURJ-OLZOCXBDSA-N
Inchi:
1S/C15H19NO4/c1-2-12-8-16(9-13(12)14(17)18)15(19)20-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,17,18)/t12-,13+/m1/s1
SMILES:
OC([C@H]1CN(C(=O)OCC2C=CC=CC=2)C[C@H]1CC)=O

(3R,4S)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid(1428243-24-6)物化性质

计算特性

  • 精确分子量 : 277.13140809g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 277.13140809g/mol
  • 重原子数量 : 20
  • 复杂度 : 352
  • 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) : 2.1
  • 拓扑分子极性表面积 : 66.8

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