3-(oxetan-3-yl)imidazole-4-carboxylic acid

C7H8N2O3 — CID 84731727

IUPAC3-(oxetan-3-yl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cncn1C1COC1
InChIInChI=1S/C7H8N2O3/c10-7(11)6-1-8-4-9(6)5-2-12-3-5/h1,4-5H,2-3H2,(H,10,11)
InChIKeyBFHWOAMVMPNQOR-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.15
Rot. Bonds2

About 3-(oxetan-3-yl)imidazole-4-carboxylic acid

3-(oxetan-3-yl)imidazole-4-carboxylic acid (PubChem CID 84731727) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-(oxetan-3-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(oxetan-3-yl)imidazole-4-carboxylic acid
PubChem CID84731727
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-(oxetan-3-yl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cncn1C1COC1
InChIInChI=1S/C7H8N2O3/c10-7(11)6-1-8-4-9(6)5-2-12-3-5/h1,4-5H,2-3H2,(H,10,11)
InChIKeyBFHWOAMVMPNQOR-UHFFFAOYSA-N
XLogP0.15
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-yl)imidazole-4-carboxylic acid?
The IUPAC name of 3-(oxetan-3-yl)imidazole-4-carboxylic acid (CID 84731727) is 3-(oxetan-3-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(oxetan-3-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-(oxetan-3-yl)imidazole-4-carboxylic acid is O=C(O)c1cncn1C1COC1.
What is the InChIKey of 3-(oxetan-3-yl)imidazole-4-carboxylic acid?
The InChIKey is BFHWOAMVMPNQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-7(11)6-1-8-4-9(6)5-2-12-3-5/h1,4-5H,2-3H2,(H,10,11).
What are the key properties of 3-(oxetan-3-yl)imidazole-4-carboxylic acid?
3-(oxetan-3-yl)imidazole-4-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 84731727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).