2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid

C11H16N2O3 — CID 106549135

IUPAC2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCc1cnn(CCC(C)(C)C(=O)O)c(=O)c1
InChIInChI=1S/C11H16N2O3/c1-8-6-9(14)13(12-7-8)5-4-11(2,3)10(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyOTLZVCZKPJIZRG-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.05
Rot. Bonds4

About 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid

2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid (PubChem CID 106549135) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
PubChem CID106549135
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCc1cnn(CCC(C)(C)C(=O)O)c(=O)c1
InChIInChI=1S/C11H16N2O3/c1-8-6-9(14)13(12-7-8)5-4-11(2,3)10(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyOTLZVCZKPJIZRG-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid
CID 65248080
2-Methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548384
4-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548395
2,2-Dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548399
4-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548419
Methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548425
2,2-Dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106549139
2-[1-[(4-Methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
CID 106549146
2,2-Dimethyl-6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106714219
4-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid
CID 113579763
2,2-Dimethyl-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoic acid
CID 114397968
4-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid
CID 114397998

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid (CID 106549135) is 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid is Cc1cnn(CCC(C)(C)C(=O)O)c(=O)c1.
What is the InChIKey of 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is OTLZVCZKPJIZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-6-9(14)13(12-7-8)5-4-11(2,3)10(15)16/h6-7H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 106549135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).