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

C10H14N2O3 — CID 82237815

IUPAC2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCCC(C)(C(=O)O)n1nc(C)ccc1=O
InChIInChI=1S/C10H14N2O3/c1-4-10(3,9(14)15)12-8(13)6-5-7(2)11-12/h5-6H,4H2,1-3H3,(H,14,15)
InChIKeyIYNBUELQZFLJRZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.76
Rot. Bonds3

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

2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid (PubChem CID 82237815) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
PubChem CID82237815
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCCC(C)(C(=O)O)n1nc(C)ccc1=O
InChIInChI=1S/C10H14N2O3/c1-4-10(3,9(14)15)12-8(13)6-5-7(2)11-12/h5-6H,4H2,1-3H3,(H,14,15)
InChIKeyIYNBUELQZFLJRZ-UHFFFAOYSA-N
XLogP0.76
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-Butyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 28603378
2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid
CID 43618717
1(6h)-Pyridazineacetic acid,a-ethyl-3-methyl-6-oxo-
CID 45122405
2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 61262274
2-Methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 61262828
2-[Methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 61818196
2-[Methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 61819043
2-Methyl-2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 62817215
2-[(1-Butyl-6-oxopyridazine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62817743
2-[Ethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62818065
2-Methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 62818484
2-[Ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62819641

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid (CID 82237815) is 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid is CCC(C)(C(=O)O)n1nc(C)ccc1=O.
What is the InChIKey of 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is IYNBUELQZFLJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-10(3,9(14)15)12-8(13)6-5-7(2)11-12/h5-6H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 82237815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).