Structure Info
- Chemspace ID
- CSMB01203179199 (Enamine MADE)
- CAS
- 193633-39-5
- IUPAC Name
- ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-(4-cyanophenyl)propanoate
- Mol formula
- C17H22N2O4
- Mol weight
- 318 Da
- Catalog Number(s)
- BBV-391736276, CSCR01203179199, EN300-28293591, Z3621135361, s_282070____22243484____26287130
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.93
- Heavy atoms count
- 23
- Rotatable bond count
- 8
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.47
- Polar surface area (Å)
- 88
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB01203179199
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