(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl N-(phenylcarbonyl)valinate
Basic information
- CAS
1008069-93-9- Standard SMILES
CC(C)C(NC(=O)c1ccccc1)C(=O)OCN1C(=O)c2ccccc2C1=O- InChIKey
VFTFWNSWNQKDKZ-UHFFFAOYSA-N- Molecular formula
- C21H20N2O5
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.13722174
Names & identifiers
- Preferred name
- (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl N-(phenylcarbonyl)valinate
- IUPAC
- (1,3-dioxoisoindol-2-yl)methyl 2-benzamido-3-methylbutanoate
Names & synonyms
DTXSID401159874STK120060(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl N-(phenylcarbonyl)valinateAKOS0054009351008069-93-9(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl N-benzoylvalinateN-Benzoylvaline (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester
Database identifiers
- CAS
1008069-93-9- PubChem CID
- 3919205
- DTXSID
DTXSID401159874
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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