Basic information
- CAS
65926-63-8- Standard SMILES
CC(C)=CC(=O)N1CCC[C@H]1C(=O)O- InChIKey
CQNCGQDDRFDTAY-QMMMGPOBSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- 1-(3-Methylbut-2-enoyl)-L-proline
- IUPAC
- (2S)-1-(3-methylbut-2-enoyl)pyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL20839896DTXSID0012722341-(3-Methylbut-2-enoyl)-L-proline1-(3-Methyl-1-oxo-2-buten-1-yl)-L-proline65926-63-8
Database identifiers
- CAS
65926-63-8- PubChem CID
- 12371323
- DTXSID
DTXSID001272234
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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