1-(oxetan-3-yl)imidazole-2-carboxylic acid

C7H8N2O3 — CID 84731726

IUPAC1-(oxetan-3-yl)imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1C1COC1
InChIInChI=1S/C7H8N2O3/c10-7(11)6-8-1-2-9(6)5-3-12-4-5/h1-2,5H,3-4H2,(H,10,11)
InChIKeySZDRPYLFFLYQNP-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.15
Rot. Bonds2

About 1-(oxetan-3-yl)imidazole-2-carboxylic acid

1-(oxetan-3-yl)imidazole-2-carboxylic acid (PubChem CID 84731726) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 1-(oxetan-3-yl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-(oxetan-3-yl)imidazole-2-carboxylic acid
PubChem CID84731726
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name1-(oxetan-3-yl)imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1C1COC1
InChIInChI=1S/C7H8N2O3/c10-7(11)6-8-1-2-9(6)5-3-12-4-5/h1-2,5H,3-4H2,(H,10,11)
InChIKeySZDRPYLFFLYQNP-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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Related Compounds

Imidazole-1-acetic acid
CID 656129
1-methyl-1H-imidazole-2-carboxylic acid
CID 557678
(2-Methyl-imidazol-1-yl)-acetic acid
CID 650088
ethyl 2-(1H-imidazol-1-yl)acetate
CID 3798501
1-Propylimidazole-2-carboxylic acid
CID 64137870
1-But-3-enylimidazole-2-carboxylic acid
CID 141517391
ethyl 1-methyl-1H-imidazole-2-carboxylate
CID 4261883
1-isopropyl-1H-imidazole-2-carboxylic acid
CID 55252644
1-Cyclobutyl-1H-imidazole-2-carboxylic acid
CID 83873455
2-Imidazol-1-ylbutyl acetate
CID 44410441
1-Isobutyl-1H-imidazole-2-carboxylic acid
CID 55252646
1-Butan-2-ylimidazole-2-carboxylic acid
CID 55254591

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)imidazole-2-carboxylic acid?
The IUPAC name of 1-(oxetan-3-yl)imidazole-2-carboxylic acid (CID 84731726) is 1-(oxetan-3-yl)imidazole-2-carboxylic acid.
What is the SMILES notation for 1-(oxetan-3-yl)imidazole-2-carboxylic acid?
The canonical SMILES for 1-(oxetan-3-yl)imidazole-2-carboxylic acid is O=C(O)c1nccn1C1COC1.
What is the InChIKey of 1-(oxetan-3-yl)imidazole-2-carboxylic acid?
The InChIKey is SZDRPYLFFLYQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-7(11)6-8-1-2-9(6)5-3-12-4-5/h1-2,5H,3-4H2,(H,10,11).
What are the key properties of 1-(oxetan-3-yl)imidazole-2-carboxylic acid?
1-(oxetan-3-yl)imidazole-2-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 1-(oxetan-3-yl)imidazole-2-carboxylic acid is sourced from PubChem (CID 84731726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).