(3R)-3-[(3-Methylbutanoyl)Oxy]-4-(Trimethylammonio)Butanoate

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Properties Simple | Detailed

Formula C12H23NO4
IUPAC Name (3r)-3-(3-methylbutanoyloxy)-4-(trimethylammonio)butanoate
Molecular Mass 245.315 g·mol−1
Heat of Formation -758.1 ± 16.7 kJ·mol−1
Dipole Moment 10.57 ± 1.08 D
Volume 321.77 Å 3
Surface Area 271.47 Å 2
HOMO Energy -7.90 ± 0.55 eV
LUMO Energy 3.84 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-(3-methyl-1-oxobutoxy)-4-trimethylammoniobutanoate
  • (3r)-3-(3-methylbutanoyloxy)-4-trimethylammonio-butanoate
  • (3r)-3-(3-methylbutanoyloxy)-4-trimethylazaniumyl-butanoate
  • (3r)-3-(3-methylbutanoyloxy)-4-trimethylazaniumylbutanoate
  • (3r)-3-isovaleryloxy-4-trimethylammonio-butyrate
  • 1-propanaminium, 3-carboxy-n,n,n-trimethyl-2-(3-methyl-1-oxobutoxy)-, inner salt, (r)-
  • 3-methylbutyrylcarnitine
  • isovalerylcarnitine
CAS Number(s)
  • 31023-24-2
InChIKey IGQBPDJNUXPEMT-SNVBAGLBSA-N
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