Basic information
- Standard SMILES
C[C@@]12CN(C(=O)OCc3ccccc3)C[C@@H]1O2- InChIKey
PISIBPWFYVIAFX-WCQYABFASA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
Names & identifiers
- Preferred name
- (1R,5S)-benzyl 1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
- IUPAC
- benzyl (1R,5S)-1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
Names & synonyms
SCHEMBL16472510PISIBPWFYVIAFX-WCQYABFASA-N(1R,5S)-benzyl 1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
Database identifiers
- PubChem CID
- 86707907
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Related reactions
2 records
Compound notes
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