[(1S,5R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] (2R)-3-Hydroxy-2-Phenylpropanoate
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1379091 | |
| PubChem: | 637577 | |
| IUPAC: | [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate | |
| Standard InChI: | InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m0/s1 | |
| Standard InChI Key: | RKUNBYITZUJHSG-QXULXFAOSA-N | |
| SMILES: | OC[C@@H](c1ccccc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C | |
Molecular propeties
| ||
| AlogP: | 1.93 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 289.17 | |
| Topological polar surface area: | 49.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.588 | |
| Number of carbons: | 17 | |