3-Quinuclidinyl tropate
1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-phenylpropanoate
Also Known As: 3-Quinuclidinyl tropate|1-azabicyclo[2.2.2]oct-3-yl tropate|(+-)-3-Quinuclidinyl (+-)-tropate|1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-phenylpropanoate|Tropic acid, (+-)-3-quinuclidinyl ester, (+-)-|Benzeneacetic acid, a-(hydroxymethyl)-,1-azabicyclo[2.2.2]oct-3-yl ester|Benzeneacetic acid,a-(hydroxymethyl)-,1-azabicyclo[2.2.2]oct-3-yl ester|Benzeneacetic acid, a-(hydroxymethyl)-,1-azabicyclo[2.2.2]oct-3-yl ester, [R-(R*,S*)]- (9CI)|Benzeneacetic acid, alpha-(hydroxymethyl)-, 1-azabicyclo(2.2.2)oct-3-yl ester, (R-(R*,S*))-
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15213 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.15213 |
| Monoisotopic Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 93589-75-4 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)C(CO)C3=CC=CC=C3 |
| InChIKey | UAOWRURGPHRVET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Quinuclidinyl tropate (CAS 93589-75-4), with molecular formula C16H21NO3 and molecular weight 275.15213 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-phenylpropanoate.