3-(3-Oxo-3,6,7,8-Tetrahydro-2H-Cyclohepta[D][1,2]Oxazol-4-Yl)-L-Alanine

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Properties Simple | Detailed

Formula C11H14N2O4
IUPAC Name (2s)-2-amino-3-(3-hydroxy-7,8-dihydro-6h-cyclohepta[d]isoxazol-4-yl)propanoic acid
Molecular Mass 238.240 g·mol−1
Heat of Formation -475.0 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 272.41 Å 3
Surface Area 243.44 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(3-keto-7,8-dihydro-6h-cyclohepta[d]isoxazol-4-yl)propionic acid
  • (2s)-2-amino-3-(3-oxo-7,8-dihydro-6h-cyclohepta[d][1,2]oxazol-4-yl)propanoic acid
  • (2s)-2-amino-3-(3-oxo-7,8-dihydro-6h-cyclohepta[d]isoxazol-4-yl)propanoic acid
  • 2-amino-3-(3-hydroxy-7,8-dihydro-6h-cyclohepta[d]-4-isoxazolyl)propionic acid
  • 3-(3-hydroxy-7,8-dihydro-6h-cyclohepta[d]isoxazol-4-yl)-l-alanine
  • ibc
InChIKey HJEPOXZLPHUVFE-ZETCQYMHSA-N
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