3-methylhistidine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 41
Total Number of Articles : 71
PubChem 64969
Molecular Formula

C7H11N3O2

SMILES

CN1C=NC=C1C[C@@H](C(=O)O)N

InChI

InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1

synonyms
  • 3-Methyl-L-histidine
  • 368-16-1
  • 3-Methylhistidine
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Properties
Property Value
MW 169.18 g/mol
HBD 2
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 174
xlogp -3.3
Topological Polar Surface Area 81.1