ectoine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 38
Total Number of Articles : 21
PubChem 126041
Molecular Formula

C6H10N2O2

SMILES

CC1=NCC[C@H](N1)C(=O)O

InChI

InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1

synonyms
  • ectoine
  • 96702-03-3
  • ectoin
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Properties
Property Value
MW 142.16 g/mol
HBD 2
HBA 3
Rotatable Bond Count 1
Exact Mass 142.074227566 g/mol
Monoisotopic Mass 142.074227566 g/mol
Heavy Atom Count 10
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 177
xlogp -0.8
Topological Polar Surface Area 61.7