Basic information
- Standard SMILES
CC(C)C(NC(=O)c1cccnc1)C(=O)OCc1ccccc1- InChIKey
PLTMZBGTWZPXAU-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3
- Average molar mass
- 312.4 g/mol
Names & identifiers
- Preferred name
- Benzyl 3-methyl-2-(pyridine-3-carbonylamino)butanoate
- IUPAC
- benzyl 3-methyl-2-(pyridine-3-carbonylamino)butanoate
Names & synonyms
SCHEMBL6446547
Database identifiers
- PubChem CID
- 22910108
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Related reactions
2 records
Compound notes
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