3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid

C10H14N2O4 — CID 105061585

IUPAC3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid
SMILESCOc1ccc(=O)n(CC(C)(C)C(=O)O)n1
InChIInChI=1S/C10H14N2O4/c1-10(2,9(14)15)6-12-8(13)5-4-7(11-12)16-3/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyUOMWKMXBXCDDPJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.36
Rot. Bonds4

About 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid

3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 105061585) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID105061585
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid
SMILESCOc1ccc(=O)n(CC(C)(C)C(=O)O)n1
InChIInChI=1S/C10H14N2O4/c1-10(2,9(14)15)6-12-8(13)5-4-7(11-12)16-3/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyUOMWKMXBXCDDPJ-UHFFFAOYSA-N
XLogP0.36
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic 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-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid (CID 105061585) is 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid is COc1ccc(=O)n(CC(C)(C)C(=O)O)n1.
What is the InChIKey of 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is UOMWKMXBXCDDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-10(2,9(14)15)6-12-8(13)5-4-7(11-12)16-3/h4-5H,6H2,1-3H3,(H,14,15).
What are the key properties of 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid?
3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 105061585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).