Basic information
- Standard SMILES
Cc1cc(C(N)=O)c(NC(C)C)cc1C(=O)O- InChIKey
FLHZZKKNMKSPED-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
Names & identifiers
- Preferred name
- 4-(Aminocarbonyl)-5-(isopropylamino)-2-methylbenzoic acid
- IUPAC
- 4-carbamoyl-2-methyl-5-(propan-2-ylamino)benzoic acid
Names & synonyms
4-(aminocarbonyl)-5-(isopropylamino)-2-methylbenzoic acid1149386-96-8SCHEMBL2424707FLHZZKKNMKSPED-UHFFFAOYSA-NDB-3487694-aminocarbonyl-5-(isopropylamino)-2-methylbenzoic acid
Database identifiers
- PubChem CID
- 57748591
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 304
Related reactions
2 records
Compound notes
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