Tropine phenylcyclopentylglycolate
Basic information
- CAS
37830-19-6- Standard SMILES
CN1C2CCC1CC(OC(=O)C(O)(c1ccccc1)C1CCCC1)C2- InChIKey
IPYJEAZSLJLQNG-UHFFFAOYSA-N- Molecular formula
- C21H29NO3
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.21474379
Names & identifiers
- Preferred name
- Tropine phenylcyclopentylglycolate
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Names & synonyms
Tropine phenylcyclopentylglycolateTPCPGRefChem:19226092340-66-437830-19-63-Tropinyl cyclopentyl(phenyl)glycolatealpha-Cyclopentylmandelic acid 1-alpha-H,5-alpha-H-tropan-3-alpha-yl esterMandelic acid, alpha-cyclopentyl-, 1-alpha-H,5-alpha-H-tropan-3-alpha-yl ester
Database identifiers
- CAS
37830-19-6- PubChem CID
- 169972
- DTXSID
DTXSID40958859
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
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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