[(1S,2S)-1-Hydroxy-2-(L-Valylamino)Cyclobutyl]Acetic Acid

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Properties Simple | Detailed

Formula C11H20N2O4
IUPAC Name 2-[(1s,2s)-2-[[(2s)-2-amino-3-methyl-butanoyl]amino]-1-hydroxy-cyclobutyl]acetic acid
Molecular Mass 244.287 g·mol−1
Heat of Formation -831.0 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 303.68 Å 3
Surface Area 264.56 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(s)-hydroxy-2-(s,s)-valylamidocyclobutane-1-acetic acid
  • 2-[(1s,2s)-2-[[(2s)-2-amino-3-methyl-1-oxobutyl]amino]-1-hydroxycyclobutyl]acetic acid
  • 2-[(1s,2s)-2-[[(2s)-2-amino-3-methyl-butanoyl]amino]-1-hydroxy-cyclobutyl]acetic acid
  • 2-[(1s,2s)-2-[[(2s)-2-amino-3-methyl-butanoyl]amino]-1-hydroxy-cyclobutyl]ethanoic acid
  • 2-[(1s,2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]-1-hydroxycyclobutyl]acetic acid
CAS Number(s)
  • 55051-90-6
InChIKey CDPFOFWZIQBLQF-ARENWVFISA-N
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