2-Acetamido-5-oxo-5-phenylpentanoic acid
Basic information
- CAS
2545-56-4- Standard SMILES
CC(=O)NC(CCC(=O)c1ccccc1)C(=O)O- InChIKey
HYMHQWHWVZXOKO-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- 2-Acetamido-5-oxo-5-phenylpentanoic acid
- IUPAC
- 2-acetamido-5-oxo-5-phenylpentanoic acid
- English name
- 2-acetamido-5-oxo-5-phenyl-pentanoic acid
- Molecular formula
- C13H15NO4
- Molecular weight
- 249.26
Names & synonyms
2-acetamido-5-oxo-5-phenylpentanoic acid2545-56-4NSC19507Benzenepentanoic acid, a-(acetylamino)-d-oxo-DTXSID70280973NSC-19507DS-010177EN300-159760222-acetamido-5-oxo-5-phenyl-pentanoic acidBenzenepentanoic acid, α-(acetylamino)-δ-oxo-
Database identifiers
- CAS
2545-56-4- PubChem CID
- 227612
- DTXSID
DTXSID70280973
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…