Structure Info
- Chemspace ID
- CSSS00015712041 (In-Stock Screening Compounds)
- CAS
- 1251010-54-4
- MFCD
- MFCD18791943, MFCD27978812
- IUPAC Name
- tert-butyl (3aR,7aR)-5-oxo-octahydro-1H-pyrrolo[3,2-b]pyridine-1-carboxylate
- Mol formula
- C12H20N2O3
- Mol weight
- 240 Da
- Catalog Number(s)
- ABC00110518, AG01CB7S, AI16318, AR00HIQ2, BBV-131277627, BBV-83136434, BD01140489, CS-0038740, CSC015712041, CSC132310127, FCH19818307, FCH4004560, HY-W045737, LN00006845, W14334, W19271, WS-01820, Y3200750, Y4118880, Z2307155451
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.35
- Heavy atoms count
- 17
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.833
- Polar surface area (Å)
- 59
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00015712041
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