基本情報
- 標準SMILES
C=C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)OCC- InChIKey
MUWAMLYKLZSGPE-ZANVPECISA-N- 分子式
- C13H21NO4
- 平均分子量
- 255.31 g/mol
名称と識別子
- 優先名称
- Ethyl (1S,2R)-1-{[(tert-butoxy)carbonyl]amino}-2-ethenylcyclopropane-1-carboxylate
- IUPAC
- trans-ethyl (1S,2R)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
名称と別名
924307-75-5Ethyl (1S,2R)-1-{[(tert-butoxy)carbonyl]amino}-2-ethenylcyclopropane-1-carboxylateMFCD31620812ethyl (1S,2R)-1-(tert-butoxycarbonylamino)-2-vinyl-cyclopropanecarboxylateSCHEMBL2052402ethyl (1s,2r)-1-{[(tert-butoxy)carbonyl]amino-2-ethenylcyclopropane-1-carboxylateAKOS037644650AS-54155CS-0049575ethyl (1S,2R)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropane-1-carboxylateEthyl (1S,2R)-1-[[(tert-butoxy)carbonyl]amino] -2-ethenylcyclopropane-1-carboxylateEthyl (1s,2r)-1-([(tert-butoxy)carbonyl]amino)-2-ethenylcyclopropane-1-carboxylate
名称をさらに表示
MUWAMLYKLZSGPE-ZANVPECISA-NSY321265P17569F546164Ethyl (1S,2R)-1-(Boc-amino)-2-vinylcyclopropanecarboxylateEthyl (1S,2R)-1-(Boc-amino)-2-ethenylcyclopropane-1-carboxylate(1S,2R) N-Boc-1-amino-2-vinylcyclopropane carboxylic acid ethyl ester(1S,2R)N-Boc-1-amino-2-vinylcyclopropane carboxylic acid ethyl ester
データベース識別子
- PubChem CID
- 16067766
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 64.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 7
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 358
関連反応
3 件
化合物ノート
読み込み中…