1-3-(4,5-Dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde
PubChem CID: 157009982
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| Compound Synonyms | 1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde |
|---|---|
| Topological Polar Surface Area | 71.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | XUVJDFTVUZWJIR-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Compound Name | 1-3-(4,5-Dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde |
| Description | 1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde is a member of the class of compounds known as alpha amino acid esters. Alpha amino acid esters are ester derivatives of alpha amino acids. 1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde can be found in common pea, which makes 1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde a potential biomarker for the consumption of this food product. |
| Exact Mass | 195.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 195.053 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 266.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 195.17 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2-hydroxy-5-(hydroxymethyl)pyrrol-1-yl]-3H-furan-2-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C9H9NO4/c11-5-6-1-2-8(12)10(6)7-3-4-14-9(7)13/h1-4,7,11-12H,5H2 |
| Smiles | C1=COC(=O)C1N2C(=CC=C2O)CO |
| Xlogp | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C9H9NO4 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all