| Phytochemical Name : Stachydrine |
| PCNDIDS0149 |
| Pubchem CID : 115244 |
| Molecular formula: C7H13NO2 |
| Canonical SMILES : C[N+]1(CCCC1C(=O)[O-])C |
Synonymes : stachydrine|471-87-4|proline betaine|L-proline betaine|(S)-1,1-Dimethylpyrrolidin-1-ium-2-carboxylate|methyl hygrate betaine|N,N-dimethyl-L-proline|(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate|(S)-2-Carboxylato-1,1-dimethylpyrrolidinium|L-stachydrine|Prestwick-08G03|UNII-S1L688345C|CHEBI:35280|(2S)-1,1-dimethylpyrrolidinium-2-carboxylate|EINECS 207-445-1|S1L688345C|(2S)-2-Carboxy-1,1-dimethylpyrrolidinium inner salt|Pyrrolidinium, 2-carboxy-1,1-dimethyl-, inner salt, (2S)-|(S)-2-carboxy-1,1-dimethylpyrrolidinium|(-)-Stachydrine|CADABINE|N,N-dimethyl L-proline|STACHYDRINE [MI]|1-Methylproline methylbetaine|SCHEMBL232688|HYGRIC ACID METHYLBETAINE|CHEMBL1456892|DTXSID20963744|HY-N0298|MFCD09837899|AKOS006237373|CCG-266166|CS-6251|DB04284|NCGC00016999-01|NCGC00163626-01|NCGC00163626-02|AS-66917|AB00514653|(2S)-1,1-dimethyl-2-pyrrolidin-1-iumcarboxylate|A827165|Q-100498|Q27104306 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -1.200 |
| Log Po/w (XLOGP3) : 0.400 |
| Log Po/w (WLOGP) : -1.410 |
| Log Po/w (MLOGP) : -3.330 |
| Log Po/w (SILICOS-IT) : -2.400 |
| Consensus Log Po/w : -1.590 |