Basic information
- Standard SMILES
CC[C@@H](C)Nc1cc(C(=O)OC)c(C)cc1C(N)=O- InChIKey
YCARSIOUFVHMOO-SECBINFHSA-N- Molecular formula
- C14H20N2O3
- Average molar mass
- 264.32 g/mol
Names & identifiers
- Preferred name
- (R)-methyl 5-(sec-butylamino)-4-(aminocarbonyl)-2-methylbenzoate
- IUPAC
- methyl 5-[[(2R)-butan-2-yl]amino]-4-carbamoyl-2-methylbenzoate
Names & synonyms
SCHEMBL2426953YCARSIOUFVHMOO-SECBINFHSA-N(R)-methyl 5-(sec-butylamino)-4-(aminocarbonyl)-2-methylbenzoate
Database identifiers
- PubChem CID
- 67403610
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
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