4-(3,4-Dimethoxyphenyl)pyrrolidine-3-carboxylic acid
Basic information
- CAS
1047653-43-9- Standard SMILES
COc1ccc(C2CNCC2C(=O)O)cc1OC- InChIKey
ZBPIXKKRVLZQIU-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- 4-(3,4-Dimethoxyphenyl)pyrrolidine-3-carboxylic acid
- IUPAC
- 4-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
Names & synonyms
4-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylic acid1047653-43-9SCHEMBL1816533DTXSID001220776AKOS013253380DB-059272EN300-14541284-(3,4-Dimethoxyphenyl)-3-pyrrolidinecarboxylic acidF1911-4326
Database identifiers
- CAS
1047653-43-9- PubChem CID
- 53398397
- DTXSID
DTXSID001220776
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…