N-(Phenoxycarbonyl)Valine

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Properties Simple | Detailed

Formula C12H15NO4
IUPAC Name (2s)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
Molecular Mass 237.252 g·mol−1
Heat of Formation -682.4 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 286.81 Å 3
Surface Area 267.09 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
  • (2s)-3-methyl-2-(phenoxycarbonylamino)butyric acid
  • (2s)-3-methyl-2-[[oxo-(phenoxy)methyl]amino]butanoic acid
InChIKey HVJMEAOTIUMIBJ-JTQLQIEISA-N
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