(2S)-2-benzamido-4-ethoxy-4-oxobutanoic acid
Basic information
- CAS
779354-17-5- Standard SMILES
CCOC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)O- InChIKey
ZCTXXKGYWIPCHQ-JTQLQIEISA-N- Molecular formula
- C13H15NO5
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.09502258
Names & identifiers
- Preferred name
- (2S)-2-benzamido-4-ethoxy-4-oxobutanoic acid
- IUPAC
- (2S)-2-benzamido-4-ethoxy-4-oxobutanoic acid
Names & synonyms
(2S)-2-benzamido-4-ethoxy-4-oxobutanoic acid779354-17-5DTXSID00703786
Database identifiers
- CAS
779354-17-5- PubChem CID
- 53471892
- DTXSID
DTXSID00703786
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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