Methyl 2-(benzoylamino)-3-oxobutanoate
Basic information
- CAS
77320-41-3- Standard SMILES
COC(=O)C(NC(=O)c1ccccc1)C(C)=O- InChIKey
HZLTXEVQQJCKPL-UHFFFAOYSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- Methyl 2-(benzoylamino)-3-oxobutanoate
- IUPAC
- methyl 2-benzamido-3-oxobutanoate
Names & synonyms
methyl 2-(benzoylamino)-3-oxobutanoate77320-41-3DTXSID40297856RefChem:353896DTXCID30248993methyl 2-benzamido-3-oxobutanoateNSC118631SCHEMBL2493020methyl 2-benzamido-3-oxo-butanoateNSC-118631DB-1338112-(Benzoylamino)-3-oxobutanoic acid methyl ester
Database identifiers
- CAS
77320-41-3- PubChem CID
- 273397
- DTXSID
DTXSID40297856- Nikkaji
- J1.047.937A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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