Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, 1-azabicyclo(2.2.2)oct-3-yl ester
Basic information
- CAS
26758-53-2- Standard SMILES
O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)C1CCCC1- InChIKey
RFXCNPOWSCFJCD-UHFFFAOYSA-N- Molecular formula
- C20H27NO3
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.19909372
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, 1-azabicyclo(2.2.2)oct-3-yl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Names & synonyms
26758-53-2Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, 1-azabicyclo(2.2.2)oct-3-yl esterRefChem:10783383-Quinuclidinyl phenylcyclopentylglycolateEA-3167EA 3167BRN 1550422CHEMBL13050SCHEMBL1234948DTXSID60949567MANDELIC ACID, alpha-CYCLOPENTYL-, 3-QUINUCLIDINYL ESTERQ5322470
Show more names
1-Azabicyclo[2.2.2]octan-3-yl cyclopentyl(hydroxy)(phenyl)acetate1-Azabicyclo[2.2.2]octan-3-yl cyclopentyl(hydroxy)phenylacetate
Database identifiers
- CAS
26758-53-2- PubChem CID
- 33597
- DTXSID
DTXSID60949567- ChEMBL
CHEMBL13050
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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