2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid
2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid
Also Known As: PHT-DL-VAL-OH|N-Phthalyl-DL-valine|N-phthalyl valine|Phthalyl-DL-valine|Phthaloyl-DL-Valine|2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid|N-Phthaloyl-L-valine|PHT-VAL-OH|2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanoic acid|TimTec1_004995|Oprea1_618998|2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid|2-Isoindolineacetic acid,3-dioxo-|ZERO/001735|3-Methyl-2-phthalimidobutanoic acid|3-Methyl-2-phthalimidylbutanoic acid|FS-4367|2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-butyric acid|N-(1-Carboxy-2-methylpropyl)phthalimide|NCI60_002238
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08446 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08446 |
| Monoisotopic Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 6306-53-2 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | UUIPGCXIZVZSEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid (CAS 6306-53-2), with molecular formula C13H13NO4 and molecular weight 247.08446 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid.