5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid

C11H16N2O4 — CID 65255153

IUPAC5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-11(2,10(16)17)6-3-7-13-9(15)5-4-8(14)12-13/h4-5H,3,6-7H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyFSGMPOQTODGPEY-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.43
Rot. Bonds5

About 5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid

5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid (PubChem CID 65255153) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid
PubChem CID65255153
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-11(2,10(16)17)6-3-7-13-9(15)5-4-8(14)12-13/h4-5H,3,6-7H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyFSGMPOQTODGPEY-UHFFFAOYSA-N
XLogP0.43
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid
CID 28971828
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63133968
5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid
CID 63271261
4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid
CID 65248241
5-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid
CID 65255156
5-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 82010479
5-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpentanoic acid
CID 104681893
6-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylhexanoic acid
CID 113868681

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid?
The IUPAC name of 5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid (CID 65255153) is 5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid is CC(C)(CCCn1[nH]c(=O)ccc1=O)C(=O)O.
What is the InChIKey of 5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid?
The InChIKey is FSGMPOQTODGPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2,10(16)17)6-3-7-13-9(15)5-4-8(14)12-13/h4-5H,3,6-7H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid?
5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid is sourced from PubChem (CID 65255153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).