2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid

C11H16N2O3 — CID 65254803

IUPAC2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid
SMILESCC(C)(CCCn1ncccc1=O)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-11(2,10(15)16)6-4-8-13-9(14)5-3-7-12-13/h3,5,7H,4,6,8H2,1-2H3,(H,15,16)
InChIKeyRNNJUKPNXQQGJC-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.13
Rot. Bonds5

About 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid

2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid (PubChem CID 65254803) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid
PubChem CID65254803
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid
SMILESCC(C)(CCCn1ncccc1=O)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-11(2,10(15)16)6-4-8-13-9(14)5-3-7-12-13/h3,5,7H,4,6,8H2,1-2H3,(H,15,16)
InChIKeyRNNJUKPNXQQGJC-UHFFFAOYSA-N
XLogP1.13
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid (CID 65254803) is 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid is CC(C)(CCCn1ncccc1=O)C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid?
The InChIKey is RNNJUKPNXQQGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,10(15)16)6-4-8-13-9(14)5-3-7-12-13/h3,5,7H,4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid?
2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid is sourced from PubChem (CID 65254803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).