Basic information
- Standard SMILES
C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2- InChIKey
FLEJLFCEMOMGJU-KGVIZRLGSA-N- Molecular formula
- C19H25N3O2
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- (2S,5R)-5-ethynyl-1-{N-((5R,7S)-3-hydroxy-1-adamantyl)glycyl}pyrrolidine-2-carbonitrile
- IUPAC
- (2S,5R)-5-ethynyl-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile
Names & synonyms
SCHEMBL646540FLEJLFCEMOMGJU-KGVIZRLGSA-N(2S,5R)-5-ethynyl-1-{N-((5R,7S)-3-hydroxy-1-adamantyl)glycyl}pyrrolidine-2-carbonitrile
Database identifiers
- PubChem CID
- 9973731
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 640
Related reactions
4 records
Compound notes
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