(3R)-3-(Isobutyryloxy)-4-(Trimethylammonio)Butanoate

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Properties Simple | Detailed

Formula C11H21NO4
IUPAC Name (3r)-3-(2-methylpropanoyloxy)-4-(trimethylammonio)butanoate
Molecular Mass 231.289 g·mol−1
Heat of Formation -736.3 ± 16.7 kJ·mol−1
Dipole Moment 10.14 ± 1.08 D
Volume 302.08 Å 3
Surface Area 261.57 Å 2
HOMO Energy -7.88 ± 0.55 eV
LUMO Energy 3.85 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-(2-methyl-1-oxopropoxy)-4-trimethylammoniobutanoate
  • (3r)-3-(2-methylpropanoyloxy)-4-trimethylammonio-butanoate
  • (3r)-3-(2-methylpropanoyloxy)-4-trimethylazaniumyl-butanoate
  • (3r)-3-(2-methylpropanoyloxy)-4-trimethylazaniumylbutanoate
  • (3r)-3-isobutyryloxy-4-trimethylammonio-butyrate
  • (s)-3-carboxy-n,n,n-trimethyl-2-(2-methyl-1-oxopropoxy)-1-propanaminium, hydroxide, inner salt
  • 1-propanaminium, 3-carboxy-n,n,n-trimethyl-2-(2-methyl-1-oxopropoxy)-, inner salt, (r)- (9ci)
  • ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, isobutyrate, l-
  • isobutyryl-1-carnitine
  • isobutyryl-carnitine
  • isobutyryl-l-carnitine
CAS Number(s)
  • 25518-49-4
InChIKey LRCNOZRCYBNMEP-SECBINFHSA-N
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