Cyclopentaneglycolic acid, 3-quinuclidinyl ester
Basic information
- CAS
101932-14-3- Standard SMILES
O=C(OC1CN2CCC1CC2)C(O)C1CCCC1- InChIKey
UNGLWVWEWUYGCI-UHFFFAOYSA-N- Molecular formula
- C14H23NO3
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.1677936
Names & identifiers
- Preferred name
- Cyclopentaneglycolic acid, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxyacetate
Names & synonyms
3-Quinuclidyl cyclopentylglycolateCyclopentaneglycolic acid, 3-quinuclidinyl ester101932-14-3RefChem:335978DTXSID309068691-Azabicyclo[2.2.2]octan-3-yl cyclopentyl(hydroxy)acetate
Database identifiers
- CAS
101932-14-3- PubChem CID
- 3064014
- DTXSID
DTXSID30906869- Nikkaji
- J77.966K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
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Compound notes
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