2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid

C11H16N2O4 — CID 63074274

IUPAC2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCCOC(CCn1nc(C)ccc1=O)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-3-17-9(11(15)16)6-7-13-10(14)5-4-8(2)12-13/h4-5,9H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyZOEXBHPELLQTHF-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.43
Rot. Bonds6

About 2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid

2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid (PubChem CID 63074274) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
PubChem CID63074274
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCCOC(CCn1nc(C)ccc1=O)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-3-17-9(11(15)16)6-7-13-10(14)5-4-8(2)12-13/h4-5,9H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyZOEXBHPELLQTHF-UHFFFAOYSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-4-(3-methyl-6-oxopyridazin-1-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 2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid (CID 63074274) is 2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid is CCOC(CCn1nc(C)ccc1=O)C(=O)O.
What is the InChIKey of 2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is ZOEXBHPELLQTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-17-9(11(15)16)6-7-13-10(14)5-4-8(2)12-13/h4-5,9H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 63074274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).