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

C12H16N2O3 — CID 66875353

IUPAC3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid
SMILESO=C(O)C(CC1CCCC1)n1ncccc1=O
InChIInChI=1S/C12H16N2O3/c15-11-6-3-7-13-14(11)10(12(16)17)8-9-4-1-2-5-9/h3,6-7,9-10H,1-2,4-5,8H2,(H,16,17)
InChIKeyGTFSJVNEIBGOEI-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.45
Rot. Bonds4

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

3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid (PubChem CID 66875353) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid
PubChem CID66875353
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid
SMILESO=C(O)C(CC1CCCC1)n1ncccc1=O
InChIInChI=1S/C12H16N2O3/c15-11-6-3-7-13-14(11)10(12(16)17)8-9-4-1-2-5-9/h3,6-7,9-10H,1-2,4-5,8H2,(H,16,17)
InChIKeyGTFSJVNEIBGOEI-UHFFFAOYSA-N
XLogP1.45
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid (CID 66875353) is 3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid is O=C(O)C(CC1CCCC1)n1ncccc1=O.
What is the InChIKey of 3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is GTFSJVNEIBGOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11-6-3-7-13-14(11)10(12(16)17)8-9-4-1-2-5-9/h3,6-7,9-10H,1-2,4-5,8H2,(H,16,17).
What are the key properties of 3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid?
3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 66875353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).