Structure Info
- Chemspace ID
- CSMB06454656793 (Enamine MADE)
- CAS
- 2770529-18-3
- IUPAC Name
- methyl 2-{[(tert-butoxy)carbonyl]amino}-5-cyanobenzoate
- Mol formula
- C14H16N2O4
- Mol weight
- 276 Da
- Catalog Number(s)
- BBV-682880554, EN300-37396670
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.74
- Heavy atoms count
- 20
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.357
- Polar surface area (Å)
- 88
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB06454656793
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