Basic information
- CAS
61151-95-9- Standard SMILES
CCOC(=O)C(NC(=O)C1CCCCC1)C(C)=O- InChIKey
YAJUYQOVOHGPHO-UHFFFAOYSA-N- Molecular formula
- C13H21NO4
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.14705815
Names & identifiers
- Preferred name
- Butanoic acid, 2-[(cyclohexylcarbonyl)amino]-3-oxo-, ethyl ester
- IUPAC
- ethyl 2-(cyclohexanecarbonylamino)-3-oxobutanoate
Names & synonyms
61151-95-9Butanoic acid, 2-[(cyclohexylcarbonyl)amino]-3-oxo-, ethyl esterSCHEMBL9097399DTXSID80484066YAJUYQOVOHGPHO-UHFFFAOYSA-NEthyl alpha-cyclohexylcarbonylaminoacetoacetateEthyl 2-(cyclohexanecarboxamido)-3-oxobutanoate
Database identifiers
- CAS
61151-95-9- PubChem CID
- 12282192
- DTXSID
DTXSID80484066
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
1 records
Compound notes
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