Basic information
- CAS
89724-46-9- Standard SMILES
COC(=O)CC(NC(=O)C1CCCCCC1)C(C)=O- InChIKey
KANXUEHAKKULKQ-UHFFFAOYSA-N- Molecular formula
- C14H23NO4
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.16270821
Names & identifiers
- Preferred name
- Methyl 3-[(cycloheptanecarbonyl)amino]-4-oxopentanoate
- IUPAC
- methyl 3-(cycloheptanecarbonylamino)-4-oxopentanoate
Names & synonyms
89724-46-9Methyl 3-[(cycloheptanecarbonyl)amino]-4-oxopentanoateSCHEMBL10808294DTXSID80534575Methyl 3-(cycloheptanecarboxamido)-4-oxopentanoate
Database identifiers
- CAS
89724-46-9- PubChem CID
- 13282909
- DTXSID
DTXSID80534575
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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