Basic information
- CAS
77314-16-0- Standard SMILES
N#Cc1ccc(NC(=O)[C@@H](N)CCC(=O)O)cc1- InChIKey
BSVIEJKNLLUJNE-JTQLQIEISA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.09569129
Names & identifiers
- Preferred name
- N-(4-Cyanophenyl)-L-alpha-glutamine
- IUPAC
- (4S)-4-amino-5-(4-cyanoanilino)-5-oxopentanoic acid
Names & synonyms
N-(4-Cyanophenyl)-L-alpha-glutamine77314-16-0SCHEMBL9159042DTXSID70560808
Database identifiers
- CAS
77314-16-0- PubChem CID
- 14479140
- DTXSID
DTXSID70560808
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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