2-(2-methyl-1H-imidazol-5-yl)acetic acid

C6H8N2O2 — CID 20736888

IUPAC2-(2-methyl-1H-imidazol-5-yl)acetic acid
SMILESCc1ncc(CC(=O)O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-4-7-3-5(8-4)2-6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyKDUUAAQFXVENJT-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.35
Rot. Bonds2

About 2-(2-methyl-1H-imidazol-5-yl)acetic acid

2-(2-methyl-1H-imidazol-5-yl)acetic acid (PubChem CID 20736888) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(2-methyl-1H-imidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-1H-imidazol-5-yl)acetic acid
PubChem CID20736888
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(2-methyl-1H-imidazol-5-yl)acetic acid
SMILESCc1ncc(CC(=O)O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-4-7-3-5(8-4)2-6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyKDUUAAQFXVENJT-UHFFFAOYSA-N
XLogP0.35
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)acetic acid?
The IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)acetic acid (CID 20736888) is 2-(2-methyl-1H-imidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-1H-imidazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-1H-imidazol-5-yl)acetic acid is Cc1ncc(CC(=O)O)[nH]1.
What is the InChIKey of 2-(2-methyl-1H-imidazol-5-yl)acetic acid?
The InChIKey is KDUUAAQFXVENJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-7-3-5(8-4)2-6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(2-methyl-1H-imidazol-5-yl)acetic acid?
2-(2-methyl-1H-imidazol-5-yl)acetic acid has a molecular weight of 140.14 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-imidazol-5-yl)acetic acid is sourced from PubChem (CID 20736888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).