4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid

C11H16N2O4 — CID 105062205

IUPAC4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid
SMILESCOc1ccc(=O)n(CCC(C)(C)C(=O)O)n1
InChIInChI=1S/C11H16N2O4/c1-11(2,10(15)16)6-7-13-9(14)5-4-8(12-13)17-3/h4-5H,6-7H2,1-3H3,(H,15,16)
InChIKeyHRMMORZBEMEZHP-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.75
Rot. Bonds5

About 4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid

4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid (PubChem CID 105062205) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid
PubChem CID105062205
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid
SMILESCOc1ccc(=O)n(CCC(C)(C)C(=O)O)n1
InChIInChI=1S/C11H16N2O4/c1-11(2,10(15)16)6-7-13-9(14)5-4-8(12-13)17-3/h4-5H,6-7H2,1-3H3,(H,15,16)
InChIKeyHRMMORZBEMEZHP-UHFFFAOYSA-N
XLogP0.75
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid (CID 105062205) is 4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid is COc1ccc(=O)n(CCC(C)(C)C(=O)O)n1.
What is the InChIKey of 4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid?
The InChIKey is HRMMORZBEMEZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2,10(15)16)6-7-13-9(14)5-4-8(12-13)17-3/h4-5H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid?
4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 105062205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).