(+)-2-alpha-Tropan-2-ol, (+)-2-cyclopentyl-2-phenylglycolate
Basic information
- CAS
64471-17-6- Standard SMILES
CN1[C@@H]2CC[C@H](OC(=O)[C@@](O)(c3ccccc3)C3CCCC3)[C@H]1CC2- InChIKey
LZCYWXGWYVKLRQ-YOUFYPILSA-N- Molecular formula
- C21H29NO3
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.21474379
Names & identifiers
- Preferred name
- (+)-2-alpha-Tropan-2-ol, (+)-2-cyclopentyl-2-phenylglycolate
- IUPAC
- [(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetate
Names & synonyms
64471-17-6(+)-2-alpha-Tropan-2-ol, (+)-2-cyclopentyl-2-phenylglycolateRefChem:203617DTXSID509830368-Methyl-8-azabicyclo[3.2.1]octan-2-yl cyclopentyl(hydroxy)phenylacetate(1R,2S,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-2-yl (2S)-cyclopentyl(hydroxy)(phenyl)acetate
Database identifiers
- CAS
64471-17-6- PubChem CID
- 3049092
- DTXSID
DTXSID50983036
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
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Related reactions
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Compound notes
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