Basic information
- CAS
89724-40-3- Standard SMILES
COC(=O)CC(NC(=O)C1CCCCC1)C(C)=O- InChIKey
GUVQJTNFUXKYJL-UHFFFAOYSA-N- Molecular formula
- C13H21NO4
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.14705815
Names & identifiers
- Preferred name
- Methyl 3-[(cyclohexanecarbonyl)amino]-4-oxopentanoate
- IUPAC
- methyl 3-(cyclohexanecarbonylamino)-4-oxopentanoate
Names & synonyms
89724-40-3Methyl 3-[(cyclohexanecarbonyl)amino]-4-oxopentanoateSCHEMBL10811375DTXSID20534574Methyl 3-(cyclohexanecarboxamido)-4-oxopentanoate
Database identifiers
- CAS
89724-40-3- PubChem CID
- 13282905
- DTXSID
DTXSID20534574
Properties
Computed structural properties
- XLogP
- 1.2
- 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
0 records
No reaction records under the current filter.
Compound notes
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