5-Oxoprolinal
(2S)-5-oxopyrrolidine-2-carbaldehyde
Also Known As: 5-Oxoprolinal|5-Ketoprolinal|Pyroglutamic acid|5-Oxoproline aldehyde|(2s)-5-oxopyrrolidine-2-carbaldehyde|(S)-5-Oxopyrrolidine-2-carbaldehyde|5-Oxo-Pyrrolidine-2-Carbaldehyde|KST-1A0085|(2S)-5-Oxo-2-pyrrolidinecarbaldehyde|2-Pyrrolidinecarboxaldehyde, 5-oxo-, (S)-|5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carbaldehyde|(2S)-5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carbaldehyde|Pca
| Molecular Formula | C1CC(=O)N[C@@H]1C=O |
|---|---|
| Molecular Weight | 113.047676 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 113.047676 |
| Monoisotopic Mass | 113.047676 |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 4602-08-8 |
|---|---|
| SMILES | C1CC(=O)N[C@@H]1C=O |
| InChIKey | XBGYMVTXOUKXLG-BYPYZUCNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Oxoprolinal (CAS 4602-08-8), with molecular formula C1CC(=O)N[C@@H]1C=O and molecular weight 113.047676 g/mol. IUPAC: (2S)-5-oxopyrrolidine-2-carbaldehyde.
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