Basic information
- CAS
19710-89-5- Standard SMILES
CC(=O)C1=CC(=O)NC(=O)C1C(=O)CC(C)C- InChIKey
RUHLKMKXLBTQDY-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 4-Acetyl-3-(3-methylbutanoyl)pyridine-2,6(1h,3h)-dione
- IUPAC
- 4-acetyl-3-(3-methylbutanoyl)-3H-pyridine-2,6-dione
Names & synonyms
19710-89-54-acetyl-3-(3-methylbutanoyl)pyridine-2,6(1h,3h)-dioneNSC154010GLUTAMICINESCHEMBL29414499DTXSID80302817NSC-154010GLUTACOMMIDE, 3-ACETYL-4-ISOVALERYL
Database identifiers
- CAS
19710-89-5- PubChem CID
- 290481
- DTXSID
DTXSID80302817
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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