Basic information
- Standard SMILES
CC1CCC(N=[N+]=[N-])C(O)CN1C(=O)OCc1ccccc1- InChIKey
BOHJFEPUSOTHGO-UHFFFAOYSA-N- Molecular formula
- C15H20N4O3
- Average molar mass
- 304.34 g/mol
Names & identifiers
- Preferred name
- Racemic (2R,5S,6S)-5-Azido-6-hydroxy-2-methyl-azepane-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 5-azido-6-hydroxy-2-methylazepane-1-carboxylate
Names & synonyms
SCHEMBL27589532BOHJFEPUSOTHGO-UHFFFAOYSA-NRacemic (2R,5S,6S)-5-Azido-6-hydroxy-2-methyl-azepane-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 21036431
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Related reactions
6 records
Compound notes
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