1-Cyclooctyl-5-oxopyrrolidine-3-carboxylic acid
Basic information
- CAS
696647-85-5- Standard SMILES
O=C(O)C1CC(=O)N(C2CCCCCCC2)C1- InChIKey
CKUDLTYVRYZFGB-UHFFFAOYSA-N- Molecular formula
- C13H21NO3
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.15214353
Names & identifiers
- Preferred name
- 1-Cyclooctyl-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid
Names & synonyms
1-cyclooctyl-5-oxopyrrolidine-3-carboxylic acid696647-85-53-Pyrrolidinecarboxylic acid, 1-cyclooctyl-5-oxo-MFCD038345291-cyclooctyl-5-oxo-pyrrolidine-3-carboxylic AcidDTXSID70408554ALBB-021093AKOS000153778AKOS017259331LS-06399H32978SR-01000103836
Show more names
SR-01000103836-1
Database identifiers
- CAS
696647-85-5- PubChem CID
- 5124264
- DTXSID
DTXSID70408554
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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