(S)-2-(1,3-Dioxoisoindolin-2-yl)-3-methylbutanoic acid
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid
Also Known As: PHT-VAL-OH|Phthaloyl-L-Valine|N-Phthaloyl-L-valine|N,N-Phthaloylvaline|(S)-N-Phthaloylvaline|(S)-N,N-Phthaloylvaline|N,N-PHTHALOYL-L-VALINE|NCIStruc1_000534|NCIStruc2_000483|(S)-2-(1,3-Dioxoisoindolin-2-yl)-3-methylbutanoic acid|L-ValineMethylEsterHydrochloride|KST-1A7650|2-Phthalimido-3-methylbutanoic acid|(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid|NCGC00013342-02|NCGC00096459-01|(S)-2-Phthalimidyl-3-methylbutanoic acid|(2S)-2-(1,3-Dioxoisoindolin-2-yl)-3-methyl-butanoic acid|(2S)-2-(Phthalimidyl)-3-methylbutyric acid|J1.037.206B
| 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 | 5115-65-1 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | UUIPGCXIZVZSEC-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-2-(1,3-Dioxoisoindolin-2-yl)-3-methylbutanoic acid (CAS 5115-65-1), with molecular formula C13H13NO4 and molecular weight 247.08446 g/mol. IUPAC: (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid.
(S)-2-(1,3-Dioxoisoindolin-2-yl)-3-methylbutanoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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