Structure Info
- Chemspace ID
- CSMB00102723989 (Enamine MADE)
- CAS
- 2137741-90-1
- MFCD
- MFCD31435470
- IUPAC Name
- 4-amino-2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- Mol formula
- C15H22N4O5
- Mol weight
- 338 Da
- Catalog Number(s)
- BBV-118333260, CSC102723989, EN300-705144
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -2.36
- Heavy atoms count
- 24
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.533
- Polar surface area (Å)
- 125
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 3
- Zoom the structure
- CSMB00102723989
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