2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid

C7H10N2O3 — CID 82412586

IUPAC2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid
SMILESCc1ncc(C(O)C(=O)O)n1C
InChIInChI=1S/C7H10N2O3/c1-4-8-3-5(9(4)2)6(10)7(11)12/h3,6,10H,1-2H3,(H,11,12)
InChIKeyZTWTUDNEDCZBNB-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.15
Rot. Bonds2

About 2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid

2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid (PubChem CID 82412586) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid
PubChem CID82412586
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid
SMILESCc1ncc(C(O)C(=O)O)n1C
InChIInChI=1S/C7H10N2O3/c1-4-8-3-5(9(4)2)6(10)7(11)12/h3,6,10H,1-2H3,(H,11,12)
InChIKeyZTWTUDNEDCZBNB-UHFFFAOYSA-N
XLogP-0.15
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dimethylimidazol-4-yl)-hydroxymethyl]benzoic acid
CID 175228818
3-(2,3-dimethylimidazol-4-yl)-2-methylpropanoic acid
CID 82601347
2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride
CID 86813184
3-(2,3-dimethylimidazol-4-yl)prop-2-enoic acid
CID 66913319
3-(2,3-dimethylimidazol-4-yl)butan-1-amine
CID 82597545
(4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283392
1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114283574
1-(2,3-dimethylimidazol-4-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 114283386
N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide
CID 3035957
2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid
CID 117313900
(3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283578
(2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283580

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid (CID 82412586) is 2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid is Cc1ncc(C(O)C(=O)O)n1C.
What is the InChIKey of 2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid?
The InChIKey is ZTWTUDNEDCZBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-8-3-5(9(4)2)6(10)7(11)12/h3,6,10H,1-2H3,(H,11,12).
What are the key properties of 2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid?
2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid has a molecular weight of 170.17 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 82412586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).