1-[2-(3,4-Dimethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
Basic information
- CAS
56014-48-3- Standard SMILES
COc1ccc(CCN2CCCC2C(=O)O)cc1OC- InChIKey
UTGMDFFFWYTUBS-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- 1-[2-(3,4-Dimethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
- IUPAC
- 1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
Names & synonyms
56014-48-3NSC1638451-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acidDTXSID20303984NSC-1638451-[2-(3,4-Dimethoxyphenyl)ethyl]proline
Database identifiers
- CAS
56014-48-3- PubChem CID
- 294797
- DTXSID
DTXSID20303984
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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