2-hydroxyimidazole-2-carboxylic acid

C4H4N2O3 — CID 137357924

IUPAC2-hydroxyimidazole-2-carboxylic acid
SMILESO=C(O)C1(O)N=CC=N1
InChIInChI=1S/C4H4N2O3/c7-3(8)4(9)5-1-2-6-4/h1-2,9H,(H,7,8)
InChIKeyJTGCWGXKNSYUAY-UHFFFAOYSA-N
MW128.09 g/mol
LogP-1.13
Rot. Bonds1

About 2-hydroxyimidazole-2-carboxylic acid

2-hydroxyimidazole-2-carboxylic acid (PubChem CID 137357924) has the molecular formula C4H4N2O3 and a molecular weight of 128.09 g/mol. Its IUPAC name is 2-hydroxyimidazole-2-carboxylic acid.

Molecular Properties

Compound Name2-hydroxyimidazole-2-carboxylic acid
PubChem CID137357924
Molecular FormulaC4H4N2O3
Molecular Weight128.09 g/mol
Exact Mass128.02
IUPAC Name2-hydroxyimidazole-2-carboxylic acid
SMILESO=C(O)C1(O)N=CC=N1
InChIInChI=1S/C4H4N2O3/c7-3(8)4(9)5-1-2-6-4/h1-2,9H,(H,7,8)
InChIKeyJTGCWGXKNSYUAY-UHFFFAOYSA-N
XLogP-1.13
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimidazole-2-carboxylic acid?
The IUPAC name of 2-hydroxyimidazole-2-carboxylic acid (CID 137357924) is 2-hydroxyimidazole-2-carboxylic acid.
What is the SMILES notation for 2-hydroxyimidazole-2-carboxylic acid?
The canonical SMILES for 2-hydroxyimidazole-2-carboxylic acid is O=C(O)C1(O)N=CC=N1.
What is the InChIKey of 2-hydroxyimidazole-2-carboxylic acid?
The InChIKey is JTGCWGXKNSYUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3/c7-3(8)4(9)5-1-2-6-4/h1-2,9H,(H,7,8).
What are the key properties of 2-hydroxyimidazole-2-carboxylic acid?
2-hydroxyimidazole-2-carboxylic acid has a molecular weight of 128.09 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimidazole-2-carboxylic acid is sourced from PubChem (CID 137357924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).