4-[2-Formyl-5-(methoxymethyl)-1h-pyrrol-1-yl]butanoic acid
PubChem CID: 10059539
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| Compound Synonyms | CHEMBL355660, 4-[2-formyl-5-(methoxymethyl)-1h-pyrrol-1-yl]butanoic acid |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 68.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | RMVYYJRTYQWDRK-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Rotatable Bond Count | 7.0 |
| Heavy Atom Count | 16.0 |
| Compound Name | 4-[2-Formyl-5-(methoxymethyl)-1h-pyrrol-1-yl]butanoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 225.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 225.24 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butanoic acid |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -0.9616627999999994 |
| Inchi | InChI=1S/C11H15NO4/c1-16-8-10-5-4-9(7-13)12(10)6-2-3-11(14)15/h4-5,7H,2-3,6,8H2,1H3,(H,14,15) |
| Smiles | COCC1=CC=C(N1CCCC(=O)O)C=O |
| Xlogp | -0.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C11H15NO4 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients