Basic information
- Standard SMILES
O=C(OC1C2CC3CC1CC(O)(C3)C2)N1CCC(c2ccncc2)C1- InChIKey
PFYSCQZAYJFYPO-UHFFFAOYSA-N- Molecular formula
- C20H26N2O3
- Average molar mass
- 342.4 g/mol
Names & identifiers
- Preferred name
- 1-Hydroxy-4-adamantyl 3-(pyridin-4-yl)pyrrolidine-1-carboxylate
- IUPAC
- (5-hydroxy-2-adamantyl) 3-pyridin-4-ylpyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2636497CHEMBL3951206PFYSCQZAYJFYPO-UHFFFAOYSA-NBDBM186103US9163012, 211-hydroxy-4-adamantyl 3-(pyridin-4-yl)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 49835547
- ChEMBL
CHEMBL3951206
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 517
Related reactions
2 records
Compound notes
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