Basic information
- CAS
54819-26-0- Standard SMILES
COC(=O)C[C@H](NC(=O)c1ccccc1)C(C)=O- InChIKey
CLKFNPGWMPRGHS-NSHDSACASA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- Pentanoic acid, 3-(benzoylamino)-4-oxo-, methyl ester, (S)-
- IUPAC
- methyl (3S)-3-benzamido-4-oxopentanoate
Names & synonyms
54819-26-0Pentanoic acid, 3-(benzoylamino)-4-oxo-, methyl ester, (S)-DTXSID90450550Methyl (3S)-3-benzamido-4-oxopentanoate
Database identifiers
- CAS
54819-26-0- PubChem CID
- 10977832
- DTXSID
DTXSID90450550
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- 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
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