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

C7H9N3O2 — CID 84731665

IUPAC1-(azetidin-3-yl)imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1C1CNC1
InChIInChI=1S/C7H9N3O2/c11-7(12)6-9-1-2-10(6)5-3-8-4-5/h1-2,5,8H,3-4H2,(H,11,12)
InChIKeyVXQANLBKTUREDF-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.27
Rot. Bonds2

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

1-(azetidin-3-yl)imidazole-2-carboxylic acid (PubChem CID 84731665) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-(azetidin-3-yl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-(azetidin-3-yl)imidazole-2-carboxylic acid
PubChem CID84731665
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1-(azetidin-3-yl)imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1C1CNC1
InChIInChI=1S/C7H9N3O2/c11-7(12)6-9-1-2-10(6)5-3-8-4-5/h1-2,5,8H,3-4H2,(H,11,12)
InChIKeyVXQANLBKTUREDF-UHFFFAOYSA-N
XLogP-0.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)imidazole-2-carboxylic acid?
The IUPAC name of 1-(azetidin-3-yl)imidazole-2-carboxylic acid (CID 84731665) is 1-(azetidin-3-yl)imidazole-2-carboxylic acid.
What is the SMILES notation for 1-(azetidin-3-yl)imidazole-2-carboxylic acid?
The canonical SMILES for 1-(azetidin-3-yl)imidazole-2-carboxylic acid is O=C(O)c1nccn1C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)imidazole-2-carboxylic acid?
The InChIKey is VXQANLBKTUREDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-7(12)6-9-1-2-10(6)5-3-8-4-5/h1-2,5,8H,3-4H2,(H,11,12).
What are the key properties of 1-(azetidin-3-yl)imidazole-2-carboxylic acid?
1-(azetidin-3-yl)imidazole-2-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)imidazole-2-carboxylic acid is sourced from PubChem (CID 84731665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).