2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid

C11H16N2O3 — CID 82239620

IUPAC2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid
SMILESCCCC(C)(C(=O)O)n1nc(C)ccc1=O
InChIInChI=1S/C11H16N2O3/c1-4-7-11(3,10(15)16)13-9(14)6-5-8(2)12-13/h5-6H,4,7H2,1-3H3,(H,15,16)
InChIKeyWYHSRUHKQIYSBO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.15
Rot. Bonds4

About 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid

2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid (PubChem CID 82239620) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid
PubChem CID82239620
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid
SMILESCCCC(C)(C(=O)O)n1nc(C)ccc1=O
InChIInChI=1S/C11H16N2O3/c1-4-7-11(3,10(15)16)13-9(14)6-5-8(2)12-13/h5-6H,4,7H2,1-3H3,(H,15,16)
InChIKeyWYHSRUHKQIYSBO-UHFFFAOYSA-N
XLogP1.15
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 168984583
2-[3-[2-(Dimethylamino)ethyl]-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 169742086
2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 43360352
2-Cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43360499
2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid
CID 43618717
2-Methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43618751
2-Methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43618915
2-Methyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 64372659
2-[(1-Ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid
CID 75428956
1-[(1-Methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157763
1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158525
1-[(6-Oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158892

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid?
The IUPAC name of 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid (CID 82239620) is 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid is CCCC(C)(C(=O)O)n1nc(C)ccc1=O.
What is the InChIKey of 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid?
The InChIKey is WYHSRUHKQIYSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-7-11(3,10(15)16)13-9(14)6-5-8(2)12-13/h5-6H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid?
2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)pentanoic acid is sourced from PubChem (CID 82239620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).