alpha-methylhistidine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 3
PubChem 150780
Molecular Formula

C7H11N3O2

SMILES

C[C@](CC1=CN=CN1)(C(=O)O)N

InChI

InChI=1S/C7H11N3O2/c1-7(8,6(11)12)2-5-3-9-4-10-5/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t7-/m0/s1

synonyms
  • alpha-Methylhistidine
  • 587-20-2
  • (2S)-2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
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Properties
Property Value
MW 169.18 g/mol
HBD 3
HBA 4
Rotatable Bond Count 3
Exact Mass 169.085126602 g/mol
Monoisotopic Mass 169.085126602 g/mol
Heavy Atom Count 12
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 186
xlogp -3
Topological Polar Surface Area 92