2-(1,2-dimethylimidazol-4-yl)acetic acid

C7H10N2O2 — CID 82279387

IUPAC2-(1,2-dimethylimidazol-4-yl)acetic acid
SMILESCc1nc(CC(=O)O)cn1C
InChIInChI=1S/C7H10N2O2/c1-5-8-6(3-7(10)11)4-9(5)2/h4H,3H2,1-2H3,(H,10,11)
InChIKeyNQNBTZYDBTVPJA-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.36
Rot. Bonds2

About 2-(1,2-dimethylimidazol-4-yl)acetic acid

2-(1,2-dimethylimidazol-4-yl)acetic acid (PubChem CID 82279387) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(1,2-dimethylimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2-dimethylimidazol-4-yl)acetic acid
PubChem CID82279387
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(1,2-dimethylimidazol-4-yl)acetic acid
SMILESCc1nc(CC(=O)O)cn1C
InChIInChI=1S/C7H10N2O2/c1-5-8-6(3-7(10)11)4-9(5)2/h4H,3H2,1-2H3,(H,10,11)
InChIKeyNQNBTZYDBTVPJA-UHFFFAOYSA-N
XLogP0.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylimidazol-4-yl)acetic acid?
The IUPAC name of 2-(1,2-dimethylimidazol-4-yl)acetic acid (CID 82279387) is 2-(1,2-dimethylimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1,2-dimethylimidazol-4-yl)acetic acid?
The canonical SMILES for 2-(1,2-dimethylimidazol-4-yl)acetic acid is Cc1nc(CC(=O)O)cn1C.
What is the InChIKey of 2-(1,2-dimethylimidazol-4-yl)acetic acid?
The InChIKey is NQNBTZYDBTVPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-8-6(3-7(10)11)4-9(5)2/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(1,2-dimethylimidazol-4-yl)acetic acid?
2-(1,2-dimethylimidazol-4-yl)acetic acid has a molecular weight of 154.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylimidazol-4-yl)acetic acid is sourced from PubChem (CID 82279387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).