3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid

C12H12N2O3 — CID 82543397

IUPAC3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid
SMILESCC(CC(=O)O)c1ccc(-c2cncnc2)o1
InChIInChI=1S/C12H12N2O3/c1-8(4-12(15)16)10-2-3-11(17-10)9-5-13-7-14-6-9/h2-3,5-8H,4H2,1H3,(H,15,16)
InChIKeyDSGZTDDUFPAUOW-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.31
Rot. Bonds4

About 3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid

3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid (PubChem CID 82543397) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid
PubChem CID82543397
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid
SMILESCC(CC(=O)O)c1ccc(-c2cncnc2)o1
InChIInChI=1S/C12H12N2O3/c1-8(4-12(15)16)10-2-3-11(17-10)9-5-13-7-14-6-9/h2-3,5-8H,4H2,1H3,(H,15,16)
InChIKeyDSGZTDDUFPAUOW-UHFFFAOYSA-N
XLogP2.31
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-pyrimidin-5-ylfuran-2-yl)butanoic 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 3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid?
The IUPAC name of 3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid (CID 82543397) is 3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid.
What is the SMILES notation for 3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid?
The canonical SMILES for 3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid is CC(CC(=O)O)c1ccc(-c2cncnc2)o1.
What is the InChIKey of 3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid?
The InChIKey is DSGZTDDUFPAUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(4-12(15)16)10-2-3-11(17-10)9-5-13-7-14-6-9/h2-3,5-8H,4H2,1H3,(H,15,16).
What are the key properties of 3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid?
3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid has a molecular weight of 232.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid is sourced from PubChem (CID 82543397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).