Basic information
- Standard SMILES
CCC(=O)CNC(=O)OCc1ccccc1- InChIKey
GQXXEURLDOMPBM-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- Benzyl (2-oxobutyl)carbamate
- IUPAC
- benzyl N-(2-oxobutyl)carbamate
Names & synonyms
224441-65-0Benzyl (2-oxobutyl)carbamatebenzyl N-(2-oxobutyl)carbamate(2-Oxo-butyl)-carbamic acid benzyl esterSCHEMBL5217165benzyloxycarbonylamino-2-butanoneGQXXEURLDOMPBM-UHFFFAOYSA-N1-benzyloxycarbonylamino-2-butanone(2-Oxo-butyl)-carbamicacidbenzylesterCS-0296053EN300-797174
Database identifiers
- PubChem CID
- 18667993
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
4 records
Compound notes
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