Isobutyrylcarnitine
(3R)-3-(2-methylpropanoyloxy)-4-(trimethylazaniumyl)butanoate
Also Known As: Isobutyryl-L-carnitine|isobutyrylcarnitine|Isobutyryl-carnitine|Isobutyryl-1-carnitine|Isobutyryl-L-(-)-carnitine|O-isobutyryl-L-carnitine|Iso-butyryl-L(-)-carnitin|L-Isobutyrylcarnitine|i-Butyryl-l-Carnitin|(R)-isobutyrylcarnitine|O-isobutanoyl-(R)-carnitine|Iso-butyryl-L(-)-carnitin [German]|KST-1A3661|MSK170090-100WA|(3R)-3-(2-methylpropanoyloxy)-4-(trimethylazaniumyl)butanoate|(3R)-3-[(2-methylpropanoyl)oxy]-4-(trimethylazaniumyl)butanoate|(3R)-3-(2-METHYLPROPANOYLOXY)-4-TRIMETHYLAZANIUMYLBUTANOATE|Isobutyryl-L-carnitine, >=97.0% (TLC)|(R)-3-(Isobutyryloxy)-4-(trimethylammonio)butanoate|(3r)-3-[(2-methylpropanoyl)oxy]-4-(trimethylammonio)butanoate|Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, isobutyrate, L-|(S)-3-Carboxy-N,N,N-trimethyl-2-(2-methyl-1-oxopropoxy)-1-propanaminium, hydroxide, inner salt|3-[(2-methylpropanoyl)oxy]-4-(trimethylazaniumyl)butanoate|(3R)-3-(2-methylpropanoyloxy)-4-(trimethylammonio)butanoate
| Molecular Formula | C11H21NO4 |
|---|---|
| Molecular Weight | 231.14706 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 231.14706 |
| Monoisotopic Mass | 231.14706 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 25518-48-3 |
|---|---|
| SMILES | CC(C)C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C |
| InChIKey | LRCNOZRCYBNMEP-SECBINFHSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyrylcarnitine (CAS 25518-48-3), with molecular formula C11H21NO4 and molecular weight 231.14706 g/mol. IUPAC: (3R)-3-(2-methylpropanoyloxy)-4-(trimethylazaniumyl)butanoate.
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