[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate | SBID = 2713 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 49.8 | ||
| Ertl TPSA/Å2: | 49.77 | ||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| Hydrophilicity (Cheng XLogP3): | 1.83 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 3.0 | ||
| 3D Volume/Å3: | 228.6 | ||
| Sum Formula: | C17H23NO3 | ||
| M / g/mol: | 289.4 | ||
| Complexity: | 353.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
- Preferred Abbreviation: ATROPINE
- IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
- CAS:
- CID: 174174
- InChiKey: RKUNBYITZUJHSG-PJPHBNEVSA-N
- 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?
- CanoSmiles: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
- IsoSmiles: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
