Structure Info
- Chemspace ID
- CSMB00113914505 (Enamine MADE)
- IUPAC Name
- 1-tert-butyl 4-cyanomethyl 1,2,3,6-tetrahydropyridine-1,4-dicarboxylate
- Mol formula
- C13H18N2O4
- Mol weight
- 266 Da
- Catalog Number(s)
- BBV-148905431, CSC113914505, CSCR00030684908, Z2477830542, m_1458_11676168_483934, m_1458____11676168____483934
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.08
- Heavy atoms count
- 19
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.615
- Polar surface area (Å)
- 80
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00113914505
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