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

C11H16N2O3 — CID 82239618

IUPAC2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCCC(CC)(C(=O)O)n1nc(C)ccc1=O
InChIInChI=1S/C11H16N2O3/c1-4-11(5-2,10(15)16)13-9(14)7-6-8(3)12-13/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyNGDDCCUZRNXPOZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.15
Rot. Bonds4

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

2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid (PubChem CID 82239618) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
PubChem CID82239618
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCCC(CC)(C(=O)O)n1nc(C)ccc1=O
InChIInChI=1S/C11H16N2O3/c1-4-11(5-2,10(15)16)13-9(14)7-6-8(3)12-13/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyNGDDCCUZRNXPOZ-UHFFFAOYSA-N
XLogP1.15
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-(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-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid (CID 82239618) is 2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid is CCC(CC)(C(=O)O)n1nc(C)ccc1=O.
What is the InChIKey of 2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is NGDDCCUZRNXPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-11(5-2,10(15)16)13-9(14)7-6-8(3)12-13/h6-7H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 82239618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).