基本情報
- 標準SMILES
CC(C)(C)OC(=O)N[C@@]1(C(=O)O)C[C@@H]1c1ccccc1- InChIKey
VMOVYASDUSWBOL-ABAIWWIYSA-N- 分子式
- C15H19NO4
- 平均分子量
- 277.31 g/mol
- 単同位体質量
- 277.13140809
名称と識別子
- 優先名称
- (1S,2R)-N-Boc-1-amino-2-phenylcyclopropanecarboxylic acid
- IUPAC
- trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
名称と別名
151910-11-1(1S,2R)-N-BOC-1-AMINO-2-PHENYLCYCLOPROPANECARBOXYLIC ACIDMFCD03095635(1S,2R)-1-((tert-Butoxycarbonyl)amino)-2-phenylcyclopropanecarboxylic acidCyclopropanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-phenyl-, (1S,2R)-(1S,2R)-1-((tert-butoxycarbonyl)amino)-2-phenylcyclopropane-1-carboxylic acid(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid(1S,2R)-1-[(tert-butoxycarbonyl)amino]-2-phenylcyclopropanecarboxylic acid(1S,2R)-1-{[(tert-butoxy)carbonyl]amino}-2-phenylcyclopropane-1-carboxylic acidRac-(1r,2s)-1-{[(tert-butoxy)carbonyl]amino}-2-phenylcyclopropane-1-carboxylic acid, cisVMOVYASDUSWBOL-ABAIWWIYSA-Nstarbld0019530
名称をさらに表示
SCHEMBL4899633YQF3559CS-0257635(1S,2R)-1-t-butoxycarbonylamino-2-phenylcyclopropanecarboxylic acid(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-cyclopropane-1-carboxylic acidRel-(1S,2R)-1-((tert-butoxycarbonyl)amino)-2-phenylcyclopropane-1-carboxylic acid121079-56-9
データベース識別子
- PubChem CID
- 7009512
- Nikkaji
- J3.433.903A
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 75.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 395
関連反応
4 件
化合物ノート
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