Basic information
- CAS
101030-75-5- Standard SMILES
CC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCC1- InChIKey
LXIZPACCRLUEJK-UHFFFAOYSA-N- Molecular formula
- C16H23NO3
- Average molar mass
- 277.36 g/mol
- Monoisotopic mass
- 277.1677936
Names & identifiers
- Preferred name
- Cyclobutaneglycolic acid, alpha-(1-propynyl)-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-cyclobutyl-2-hydroxypent-3-ynoate
Names & synonyms
3-Quinuclidyl cyclobutyl(1-propynyl)glycolate A101030-75-53-Pentynoic acid, 2-cyclobutyl-2-hydroxy-, 3-quinuclidinyl esterCYCLOBUTANEGLYCOLIC ACID, alpha-(1-PROPYNYL)-, 3-QUINUCLIDINYL ESTERRefChem:3349391-azabicyclo[2.2.2]octan-3-yl 2-cyclobutyl-2-hydroxypent-3-ynoateDTXSID20905907
Database identifiers
- CAS
101030-75-5- PubChem CID
- 58159
- DTXSID
DTXSID20905907- Nikkaji
- J67.773F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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