3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid

C13H18N2O3 — CID 143878475

IUPAC3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1cnn(C(CC2CCCC2)C(=O)O)c(=O)c1
InChIInChI=1S/C13H18N2O3/c1-9-6-12(16)15(14-8-9)11(13(17)18)7-10-4-2-3-5-10/h6,8,10-11H,2-5,7H2,1H3,(H,17,18)
InChIKeyOSDQZONPSNSOOW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.76
Rot. Bonds4

About 3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid

3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 143878475) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
PubChem CID143878475
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1cnn(C(CC2CCCC2)C(=O)O)c(=O)c1
InChIInChI=1S/C13H18N2O3/c1-9-6-12(16)15(14-8-9)11(13(17)18)7-10-4-2-3-5-10/h6,8,10-11H,2-5,7H2,1H3,(H,17,18)
InChIKeyOSDQZONPSNSOOW-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-2-(4-iodo-6-oxo-6H-pyridazin-1-yl)-propionic acid
CID 57919310
3-cyclopentyl-2-(4-iodo-6-oxo-6H-pyridazin-1-yl)-propionic acid methyl ester
CID 66874886
3-cyclopentyl-2-(4-methoxy-6-oxo-6H-pyridazin-1-yl)-propionic acid methyl ester
CID 66875216
3-cyclopentyl-2-(6-oxo-6H-pyridazin-1-yl)-propionic acid methyl ester
CID 66875241
3-cyclopentyl-2-(4-hydroxy-6-oxo-6H-pyridazin-1-yl)-propionic acid
CID 66875316
3-cyclopentyl-2-(6-oxo-6H-pyridazin-1-yl)-propionic acid
CID 66875353
3-cyclopentyl-2-(4-hydroxy-6-oxo-6H-pyridazin-1-yl)-propionic acid methyl ester
CID 66875430
3-cyclopentyl-2-(4-methoxy-6-oxo-6H-pyridazin-1-yl)-propionic acid
CID 66875440
4-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 143878452
2-(4-Methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106548452

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid (CID 143878475) is 3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid is Cc1cnn(C(CC2CCCC2)C(=O)O)c(=O)c1.
What is the InChIKey of 3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is OSDQZONPSNSOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-6-12(16)15(14-8-9)11(13(17)18)7-10-4-2-3-5-10/h6,8,10-11H,2-5,7H2,1H3,(H,17,18).
What are the key properties of 3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 143878475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).