3-Azabicyclo(3.3.1)nonane-3-carboxylic acid, 9-methoxy-9-phenyl-, 1-methylethyl ester, syn-
Basic information
- CAS
52904-50-4- Standard SMILES
COC1(c2ccccc2)C2CCCC1CN(C(=O)OC(C)C)C2- InChIKey
XVWSIWMYCCSSCR-UHFFFAOYSA-N- Molecular formula
- C19H27NO3
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.19909372
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.3.1)nonane-3-carboxylic acid, 9-methoxy-9-phenyl-, 1-methylethyl ester, syn-
- IUPAC
- propan-2-yl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
Names & synonyms
BRN 14917223-Azabicyclo(3.3.1)nonane-3-carboxylic acid, 9-methoxy-9-phenyl-, 1-methylethyl ester, syn-52904-50-41-Methylethyl 9-methoxy-9-phenyl-3-azabicyclo(3.3.1)nonane-3-carboxylate syn-RefChem:276782DTXSID90967375propan-2-yl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
Database identifiers
- CAS
52904-50-4- PubChem CID
- 3040765
- DTXSID
DTXSID90967375
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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