[(1R,5R,6S)-2-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] acetate
PubChem CID: 5317195
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 49.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(1R,5R,6S)-2-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C10H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AWNIWHJFGMITKE-VYQDEHIVSA-N |
| Fcsp3 | 0.9 |
| Logs | -0.198 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.295 |
| Compound Name | [(1R,5R,6S)-2-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 199.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 199.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 199.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.16385 |
| Inchi | InChI=1S/C10H17NO3/c1-6(12)14-10-5-8-9(13)4-3-7(10)11(8)2/h7-10,13H,3-5H2,1-2H3/t7-,8-,9?,10+/m1/s1 |
| Smiles | CC(=O)O[C@H]1C[C@@H]2C(CC[C@H]1N2C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erycibe Obtusifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Erysimum Cheiranthoides (Plant) Rel Props:Source_db:cmaup_ingredients