L4O
概要
| 表記: | tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
| 組成式: | C10 H18 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 198.262 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
| OpenEye OEToolkits | 2.0.7 | ~{tert}-butyl (1~{S},4~{S})-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CC(C)(C)OC(=O)N1CC2CC1CN2 |
| InChI | InChI | 1.03 | InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | UXAWXZDXVOYLII-YUMQZZPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)N1C[CH]2C[CH]1CN2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)N1CC2CC1CN2 |
