1.0 2026-09-22 22:04:31 UTC 2026-09-22 22:04:31 UTC FDB118941 Isobutyryl-carnitine (3R)-3-(2-methylpropanoyloxy)-4-(trimethylammonio)butanoate (3R)-3-(2-methylpropanoyloxy)-4-(trimethylazaniumyl)butanoate C11H21NO4 231.292 231.14705816 (3R)-3-[(2-methylpropanoyl)oxy]-4-(trimethylazaniumyl)butanoate (3R)-3-[(2-methylpropanoyl)oxy]-4-(trimethylammonio)butanoate CC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C InChI=1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1 LRCNOZRCYBNMEP-SECBINFHSA-N belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. Acyl carnitines Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Amines Branched fatty acids Carbonyl compounds Carboxylic acid esters Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organopnictogen compounds Tetraalkylammonium salts Acyl-carnitine Aliphatic acyclic compound Amine Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Carboxylic acid salt Dicarboxylic acid or derivatives Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Quaternary ammonium salt Tetraalkylammonium salt O-acyl-L-carnitine O-isobutyrylcarnitine logp -2.13 ALOGPS logs -3.69 ALOGPS solubility 5.79e-02 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 4.27 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac (3R)-3-[(2-methylpropanoyl)oxy]-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 231.292 ChemAxon mono_mass 231.14705816 ChemAxon smiles CC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C ChemAxon formula C11H21NO4 ChemAxon inchi InChI=1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1 ChemAxon inchikey LRCNOZRCYBNMEP-SECBINFHSA-N ChemAxon polar_surface_area 66.43 ChemAxon refractivity 81.84 ChemAxon polarizability 24.64 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 2003 Specdb::CMs 134903 Specdb::CMs 142637 Specdb::CMs 1073054 Specdb::CMs 1073056 Specdb::NmrOneD 5169 Specdb::NmrOneD 20642 Specdb::NmrOneD 20643 Specdb::NmrOneD 20644 Specdb::NmrOneD 20645 Specdb::NmrOneD 20646 Specdb::NmrOneD 20647 Specdb::NmrOneD 20648 Specdb::NmrOneD 20649 Specdb::NmrOneD 20650 Specdb::NmrOneD 20651 Specdb::NmrOneD 20652 Specdb::NmrOneD 20653 Specdb::NmrOneD 20654 Specdb::NmrOneD 20655 Specdb::NmrOneD 20656 Specdb::NmrOneD 20657 Specdb::NmrOneD 20658 Specdb::NmrOneD 20659 Specdb::NmrOneD 20660 Specdb::NmrOneD 20661 Specdb::MsMs 1218112 Specdb::MsMs 1218113 Specdb::MsMs 1218114 Specdb::MsMs 2352601 Specdb::MsMs 2352602 Specdb::MsMs 2352603