2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid

C10H14N2O3 — CID 82239548

IUPAC2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
SMILESCCCC(C)(C(=O)O)n1ncccc1=O
InChIInChI=1S/C10H14N2O3/c1-3-6-10(2,9(14)15)12-8(13)5-4-7-11-12/h4-5,7H,3,6H2,1-2H3,(H,14,15)
InChIKeyDWFKUKJZVLCMKB-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.84
Rot. Bonds4

About 2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid

2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid (PubChem CID 82239548) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
PubChem CID82239548
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
SMILESCCCC(C)(C(=O)O)n1ncccc1=O
InChIInChI=1S/C10H14N2O3/c1-3-6-10(2,9(14)15)12-8(13)5-4-7-11-12/h4-5,7H,3,6H2,1-2H3,(H,14,15)
InChIKeyDWFKUKJZVLCMKB-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-(4-iodo-6-oxo-6H-pyridazin-1-yl)-4-methyl-pentanoic acid
CID 57919312
4-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 143878452
2-(6-Oxopyridazin-1-yl)butanoic acid
CID 156207441
(2S)-2-(3-chloro-6-oxopyridazin-1-yl)-4-methylpentanoic acid
CID 175588360
2-(3-Chloro-6-oxopyridazin-1-yl)-4-methylpentanoic acid
CID 175588361
4-Methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
CID 175920254
1-(6-Oxopyridazin-1-yl)cyclohexane-1-carboxylic acid
CID 82235910
1-(6-Oxopyridazin-1-yl)cyclopentane-1-carboxylic acid
CID 82235912
2-Methyl-2-(6-oxopyridazin-1-yl)propanoic acid
CID 82235914
3-(6-Oxopyridazin-1-yl)thiane-3-carboxylic acid
CID 82235946
2-Cyclopropyl-2-(6-oxopyridazin-1-yl)propanoic acid
CID 82237757
2-Methyl-2-(6-oxopyridazin-1-yl)butanoic acid
CID 82237758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid?
The IUPAC name of 2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid (CID 82239548) is 2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid is CCCC(C)(C(=O)O)n1ncccc1=O.
What is the InChIKey of 2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid?
The InChIKey is DWFKUKJZVLCMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-6-10(2,9(14)15)12-8(13)5-4-7-11-12/h4-5,7H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid?
2-methyl-2-(6-oxopyridazin-1-yl)pentanoic 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-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid is sourced from PubChem (CID 82239548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).