Basic information
- Standard SMILES
CCN(CC)C(=O)C1CCCCC1C(=O)O- InChIKey
YMYPITBYGUSCCW-UHFFFAOYSA-N- Molecular formula
- C12H21NO3
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.15214353
Names & identifiers
- Preferred name
- 2-[(Diethylamino)carbonyl]cyclohexanecarboxylic acid
- IUPAC
- 2-(diethylcarbamoyl)cyclohexane-1-carboxylic acid
Names & synonyms
SCHEMBL2514463YMYPITBYGUSCCW-UHFFFAOYSA-NAKOS000129023AKOS0172694102-[(diethylamino)carbonyl]cyclohexanecarboxylic acid
Database identifiers
- PubChem CID
- 3554537
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Related reactions
1 records
Compound notes
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