Structure Info
- Chemspace ID
- CSSS00000045259 (In-Stock Screening Compounds)
- CAS
- 1000931-72-5
- MFCD
- MFCD09971721, MFCD00054829, MFCD29060092
- IUPAC Name
- 8-{[(tert-butoxy)carbonyl]amino}cubane-1-carboxylic acid
- Mol formula
- C14H17NO4
- Mol weight
- 263 Da
- Catalog Number(s)
- A788532, AA009A46, AE32914, AG009A6Y, AGN-PC-0WD7UM, AQB93172, AR009AVY, AT31061, B6415, BB4LS-EN300-88072, BBV-41692837, BD00796658, CS-0133636, CSC000045259, EN300-88072, LN05341303, OR312514, P50010, PBLJ0580, SY409279, Y1327021, Z360056718
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.24
- Heavy atoms count
- 19
- Rotatable bond count
- 4
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.857
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSS00000045259
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