Basic information
- Standard SMILES
CCC(C)Nc1cc(C(=O)O)c(C)cc1C(N)=O- InChIKey
HGFIWHHGOLVVHN-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
Names & identifiers
- Preferred name
- 5-(Butan-2-ylamino)-4-carbamoyl-2-methylbenzoic acid
- IUPAC
- 5-(butan-2-ylamino)-4-carbamoyl-2-methylbenzoic acid
Names & synonyms
SCHEMBL2424142
Database identifiers
- PubChem CID
- 57748715
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Related reactions
1 records
Compound notes
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