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

C10H14N2O3 — CID 65248080

IUPAC2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid
SMILESCC(C)(CCn1ncccc1=O)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-10(2,9(14)15)5-7-12-8(13)4-3-6-11-12/h3-4,6H,5,7H2,1-2H3,(H,14,15)
InChIKeyBZRRQICRCUYSAX-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.74
Rot. Bonds4

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

2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid (PubChem CID 65248080) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid
PubChem CID65248080
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid
SMILESCC(C)(CCn1ncccc1=O)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-10(2,9(14)15)5-7-12-8(13)4-3-6-11-12/h3-4,6H,5,7H2,1-2H3,(H,14,15)
InChIKeyBZRRQICRCUYSAX-UHFFFAOYSA-N
XLogP0.74
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid (CID 65248080) is 2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid is CC(C)(CCn1ncccc1=O)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is BZRRQICRCUYSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,9(14)15)5-7-12-8(13)4-3-6-11-12/h3-4,6H,5,7H2,1-2H3,(H,14,15).
What are the key properties of 2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid?
2,2-dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.74, 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-(6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 65248080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).