[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate | SBID = 2714 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 49.8 | ||
| Ertl TPSA/Å2: | 49.77 | ||
| Hydrophilicity (PubChem XLogP): | 1.9 | ||
| Hydrophilicity (Cheng XLogP3): | 1.93 | ||
| 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: | 216.1 | ||
| Sum Formula: | C16H21NO3 | ||
| M / g/mol: | 275.34 | ||
| Complexity: | 340.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate
- Preferred Abbreviation: HOMATROPINE
- IUPAC Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate
- CAS:
- CID: 5282593
- InChiKey: ZTVIKZXZYLEVOL-DGKWVBSXSA-N
- InChi: InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14?,15?
- CanoSmiles: CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O
- IsoSmiles: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O
