2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid

C10H14N2O3 — CID 82239546

IUPAC2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid
SMILESCCC(CC)(C(=O)O)n1ncccc1=O
InChIInChI=1S/C10H14N2O3/c1-3-10(4-2,9(14)15)12-8(13)6-5-7-11-12/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyUJGLEJJMYIGXPX-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.84
Rot. Bonds4

About 2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid

2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid (PubChem CID 82239546) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid
PubChem CID82239546
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid
SMILESCCC(CC)(C(=O)O)n1ncccc1=O
InChIInChI=1S/C10H14N2O3/c1-3-10(4-2,9(14)15)12-8(13)6-5-7-11-12/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyUJGLEJJMYIGXPX-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Oxopyridazin-1-yl)butanoic acid
CID 156207441
4-Methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
CID 175920254
4-(6-Oxopyridazin-1-yl)thiane-4-carboxylic acid
CID 82235909
4-(6-Oxopyridazin-1-yl)oxane-4-carboxylic acid
CID 82235911
1-(6-Oxopyridazin-1-yl)cyclopentane-1-carboxylic acid
CID 82235912
2-Methyl-2-(6-oxopyridazin-1-yl)propanoic acid
CID 82235914
2-Cyclopropyl-2-(6-oxopyridazin-1-yl)propanoic acid
CID 82237757
2-Methyl-2-(6-oxopyridazin-1-yl)butanoic acid
CID 82237758
2-Methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
CID 82239548
2,4-Dimethyl-2-(6-oxopyridazin-1-yl)pentanoic acid
CID 82239549
2-Ethyl-2-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 82239618
4-Methoxy-2-methyl-2-(6-oxopyridazin-1-yl)butanoic acid
CID 114995078

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid (CID 82239546) is 2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid is CCC(CC)(C(=O)O)n1ncccc1=O.
What is the InChIKey of 2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is UJGLEJJMYIGXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-10(4-2,9(14)15)12-8(13)6-5-7-11-12/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid?
2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 82239546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).