2-Oxa-6-azabicyclo[3.2.2]nonane-6-carboxylicacid, 3-oxo-, phenylmethyl ester
Basic information
- CAS
69386-58-9- Standard SMILES
O=C1CC2CCC(CN2C(=O)OCc2ccccc2)O1- InChIKey
JIAIQUZZHIBPLC-UHFFFAOYSA-N- Molecular formula
- C15H17NO4
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.11575802
Names & identifiers
- Preferred name
- 2-Oxa-6-azabicyclo[3.2.2]nonane-6-carboxylicacid, 3-oxo-, phenylmethyl ester
- IUPAC
- benzyl 3-oxo-2-oxa-6-azabicyclo[3.2.2]nonane-6-carboxylate
Names & synonyms
NSC36871469386-58-92-Oxa-6-azabicyclo[3.2.2]nonane-6-carboxylicacid, 3-oxo-, phenylmethyl esterDTXSID20321047NSC-368714DS-004312BENZYL 3-OXO-2-OXA-6-AZABICYCLO[3.2.2]NONANE-6-CARBOXYLATE
Database identifiers
- CAS
69386-58-9- PubChem CID
- 339958
- DTXSID
DTXSID20321047
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…