Basic information
- Standard SMILES
CC(C)(C)[C@@H](N)C(=O)N1CC(C#N)C1.O=C(O)C(F)(F)F- InChIKey
WMEIHTCCCQNXJB-QRPNPIFTSA-N- Molecular formula
- C12H18F3N3O3
- Average molar mass
- 309.28 g/mol
Names & identifiers
- Preferred name
- 1-((R)-2-amino-3,3-dimethyl-butyryl)-azetidine-3-carbonitrile trifluoroacetate
- IUPAC
- 1-[(2R)-2-amino-3,3-dimethylbutanoyl]azetidine-3-carbonitrile;2,2,2-trifluoroacetic acid
Names & synonyms
1-((R)-2-amino-3,3-dimethyl-butyryl)-azetidine-3-carbonitrile trifluoroacetateSCHEMBL14738523
Database identifiers
- PubChem CID
- 71280485
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Related reactions
1 records
Compound notes
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