Basic information
- Standard SMILES
CN(C)C(=O)CC1(CCCC(=O)O)C=CCCC1- InChIKey
OIJRWVIXEGOSOO-UHFFFAOYSA-N- Molecular formula
- C14H23NO3
- Average molar mass
- 253.34 g/mol
Names & identifiers
- Preferred name
- 4-(1-Dimethylcarbamoylmethyl-cyclohex-2-enyl)-butyric acid
- IUPAC
- 4-[1-[2-(dimethylamino)-2-oxoethyl]cyclohex-2-en-1-yl]butanoic acid
Names & synonyms
SCHEMBL1191097OIJRWVIXEGOSOO-UHFFFAOYSA-N4-(1-dimethylcarbamoylmethyl-cyclohex-2-enyl)-butyric acid
Database identifiers
- PubChem CID
- 66936673
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
2 records
Compound notes
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