L-Proline, 1-(3,4,5-trimethoxybenzoyl)-
Basic information
- CAS
1291831-58-7- Standard SMILES
COc1cc(C(=O)N2CCC[C@H]2C(=O)O)cc(OC)c1OC- InChIKey
CDGCIHIVBMFSRS-JTQLQIEISA-N- Molecular formula
- C15H19NO6
- Average molar mass
- 309.31 g/mol
- Monoisotopic mass
- 309.12123733
Names & identifiers
- Preferred name
- L-Proline, 1-(3,4,5-trimethoxybenzoyl)-
- IUPAC
- (2S)-1-(3,4,5-trimethoxybenzoyl)pyrrolidine-2-carboxylic acid
Names & synonyms
1-(3,4,5-trimethoxybenzoyl)-L-prolineL-Proline, 1-(3,4,5-trimethoxybenzoyl)-SCHEMBL11998537DTXSID201279674AKOS0159392881291831-58-7
Database identifiers
- CAS
1291831-58-7- PubChem CID
- 891399
- DTXSID
DTXSID201279674
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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