2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid

C10H14N2O3 — CID 84734462

IUPAC2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid
SMILESO=C(O)Cc1nccn1C1CCCOC1
InChIInChI=1S/C10H14N2O3/c13-10(14)6-9-11-3-4-12(9)8-2-1-5-15-7-8/h3-4,8H,1-2,5-7H2,(H,13,14)
InChIKeyKLSVVNRJXVMSSP-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.86
Rot. Bonds3

About 2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid

2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid (PubChem CID 84734462) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid
PubChem CID84734462
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid
SMILESO=C(O)Cc1nccn1C1CCCOC1
InChIInChI=1S/C10H14N2O3/c13-10(14)6-9-11-3-4-12(9)8-2-1-5-15-7-8/h3-4,8H,1-2,5-7H2,(H,13,14)
InChIKeyKLSVVNRJXVMSSP-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid?
The IUPAC name of 2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid (CID 84734462) is 2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid?
The canonical SMILES for 2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid is O=C(O)Cc1nccn1C1CCCOC1.
What is the InChIKey of 2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid?
The InChIKey is KLSVVNRJXVMSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-10(14)6-9-11-3-4-12(9)8-2-1-5-15-7-8/h3-4,8H,1-2,5-7H2,(H,13,14).
What are the key properties of 2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid?
2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-3-yl)imidazol-2-yl]acetic acid is sourced from PubChem (CID 84734462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).