Basic information
- CAS
7596-62-5- Standard SMILES
CC(=O)NC(CC(=O)Nc1ccccc1)C(=O)O- InChIKey
NBBQFWPLWZJVOP-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Names & identifiers
- Preferred name
- n2-Acetyl-n-phenylasparagine
- IUPAC
- 2-acetamido-4-anilino-4-oxobutanoic acid
Names & synonyms
7596-62-5n2-acetyl-n-phenylasparagineNSC407207N~2~-Acetyl-N-phenylasparagineDTXSID40298005NSC-407207
Database identifiers
- CAS
7596-62-5- PubChem CID
- 274192
- DTXSID
DTXSID40298005
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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