2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid

C11H16N2O3 — CID 174455037

IUPAC2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid
SMILESCC(C)(CCCc1cn[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-11(2,10(15)16)5-3-4-8-6-9(14)13-12-7-8/h6-7H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHZADOQYVDOTHKR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.20
Rot. Bonds5

About 2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid

2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid (PubChem CID 174455037) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid
PubChem CID174455037
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid
SMILESCC(C)(CCCc1cn[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-11(2,10(15)16)5-3-4-8-6-9(14)13-12-7-8/h6-7H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHZADOQYVDOTHKR-UHFFFAOYSA-N
XLogP1.20
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid (CID 174455037) is 2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid is CC(C)(CCCc1cn[nH]c(=O)c1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid?
The InChIKey is HZADOQYVDOTHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,10(15)16)5-3-4-8-6-9(14)13-12-7-8/h6-7H,3-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid?
2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(6-oxo-1H-pyridazin-4-yl)pentanoic acid is sourced from PubChem (CID 174455037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).