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

C13H18N2O4 — CID 66875440

IUPAC3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid
SMILESCOc1cnn(C(CC2CCCC2)C(=O)O)c(=O)c1
InChIInChI=1S/C13H18N2O4/c1-19-10-7-12(16)15(14-8-10)11(13(17)18)6-9-4-2-3-5-9/h7-9,11H,2-6H2,1H3,(H,17,18)
InChIKeySRWAFCXUSQCRFV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.46
Rot. Bonds5

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

3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 66875440) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid
PubChem CID66875440
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid
SMILESCOc1cnn(C(CC2CCCC2)C(=O)O)c(=O)c1
InChIInChI=1S/C13H18N2O4/c1-19-10-7-12(16)15(14-8-10)11(13(17)18)6-9-4-2-3-5-9/h7-9,11H,2-6H2,1H3,(H,17,18)
InChIKeySRWAFCXUSQCRFV-UHFFFAOYSA-N
XLogP1.46
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid (CID 66875440) is 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid is COc1cnn(C(CC2CCCC2)C(=O)O)c(=O)c1.
What is the InChIKey of 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is SRWAFCXUSQCRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-10-7-12(16)15(14-8-10)11(13(17)18)6-9-4-2-3-5-9/h7-9,11H,2-6H2,1H3,(H,17,18).
What are the key properties of 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid?
3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 66875440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).