Basic information
- Standard SMILES
CC1CCC(N)C(O)CN1C(=O)OCc1ccccc1- InChIKey
CJKVNTNBIZCKJD-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.16304257
Names & identifiers
- Preferred name
- Racemic (2R,5S,6S)-5-Amino-6-hydroxy-2-methyl-azepane-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 5-amino-6-hydroxy-2-methylazepane-1-carboxylate
Names & synonyms
SCHEMBL4316631CJKVNTNBIZCKJD-UHFFFAOYSA-NRacemic (2R,5S,6S)-5-Amino-6-hydroxy-2-methyl-azepane-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 21036430
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 318
Related reactions
11 records
Compound notes
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