2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid

C10H14N2O3 — CID 106548384

IUPAC2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCc1cnn(C(C)C(C)C(=O)O)c(=O)c1
InChIInChI=1S/C10H14N2O3/c1-6-4-9(13)12(11-5-6)8(3)7(2)10(14)15/h4-5,7-8H,1-3H3,(H,14,15)
InChIKeyYHVTVOMPHZENBZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.83
Rot. Bonds3

About 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid

2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid (PubChem CID 106548384) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
PubChem CID106548384
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCc1cnn(C(C)C(C)C(=O)O)c(=O)c1
InChIInChI=1S/C10H14N2O3/c1-6-4-9(13)12(11-5-6)8(3)7(2)10(14)15/h4-5,7-8H,1-3H3,(H,14,15)
InChIKeyYHVTVOMPHZENBZ-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(4-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

Related Compounds

3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanoic acid
CID 106548385
3-(6-Oxopyridazin-1-yl)pentanoic acid
CID 57213770
2-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 66939422
2-[(6-Oxopyridazin-1-yl)methyl]butanoic acid
CID 70592486
2-Methyl-3-(6-oxopyridazin-1-yl)propanoic acid
CID 62848719
3-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 84103792
Methyl 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548379
2-(4-Methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid
CID 106548386
3-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548391
3-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548393
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid (CID 106548384) is 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid is Cc1cnn(C(C)C(C)C(=O)O)c(=O)c1.
What is the InChIKey of 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is YHVTVOMPHZENBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-4-9(13)12(11-5-6)8(3)7(2)10(14)15/h4-5,7-8H,1-3H3,(H,14,15).
What are the key properties of 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 106548384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).