Basic information
- Standard SMILES
CC(C)(C)OC(=O)CCC(C(N)=O)N1Cc2c(O)cccc2C1=O- InChIKey
YRMAQBVKAYGTHY-UHFFFAOYSA-N- Molecular formula
- C17H22N2O5
- Average molar mass
- 334.4 g/mol
Names & identifiers
- Preferred name
- 4-Carbamoyl-4-(4-hydroxy-1-oxo-1,3-dihydro-isoindol-2-yl)-butyric acid tert-butyl ester
- IUPAC
- tert-butyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate
Names & synonyms
SCHEMBL2255636SCHEMBL29546840DB-2059814-carbamoyl-4-(4-hydroxy-1-oxo-1,3-dihydro-isoindol-2-yl)-butyric acid tert-butyl ester1323407-50-6
Database identifiers
- PubChem CID
- 67336544
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 514
Related reactions
1 records
Compound notes
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