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

C12H16N2O4 — CID 66875316

IUPAC3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid
SMILESO=C(O)C(CC1CCCC1)n1ncc(O)cc1=O
InChIInChI=1S/C12H16N2O4/c15-9-6-11(16)14(13-7-9)10(12(17)18)5-8-3-1-2-4-8/h6-8,10,15H,1-5H2,(H,17,18)
InChIKeyBVWFKMOSLHPSIL-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.15
Rot. Bonds4

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

3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 66875316) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid
PubChem CID66875316
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid
SMILESO=C(O)C(CC1CCCC1)n1ncc(O)cc1=O
InChIInChI=1S/C12H16N2O4/c15-9-6-11(16)14(13-7-9)10(12(17)18)5-8-3-1-2-4-8/h6-8,10,15H,1-5H2,(H,17,18)
InChIKeyBVWFKMOSLHPSIL-UHFFFAOYSA-N
XLogP1.15
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid (CID 66875316) is 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid is O=C(O)C(CC1CCCC1)n1ncc(O)cc1=O.
What is the InChIKey of 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is BVWFKMOSLHPSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-9-6-11(16)14(13-7-9)10(12(17)18)5-8-3-1-2-4-8/h6-8,10,15H,1-5H2,(H,17,18).
What are the key properties of 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid?
3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 66875316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).