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

C11H14N2O3 — CID 82237814

IUPAC2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1ccc(=O)n(C(C)(C(=O)O)C2CC2)n1
InChIInChI=1S/C11H14N2O3/c1-7-3-6-9(14)13(12-7)11(2,10(15)16)8-4-5-8/h3,6,8H,4-5H2,1-2H3,(H,15,16)
InChIKeyUEMHMAJGYJIIOM-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.76
Rot. Bonds3

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

2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 82237814) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid
PubChem CID82237814
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1ccc(=O)n(C(C)(C(=O)O)C2CC2)n1
InChIInChI=1S/C11H14N2O3/c1-7-3-6-9(14)13(12-7)11(2,10(15)16)8-4-5-8/h3,6,8H,4-5H2,1-2H3,(H,15,16)
InChIKeyUEMHMAJGYJIIOM-UHFFFAOYSA-N
XLogP0.76
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid (CID 82237814) is 2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid is Cc1ccc(=O)n(C(C)(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is UEMHMAJGYJIIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-3-6-9(14)13(12-7)11(2,10(15)16)8-4-5-8/h3,6,8H,4-5H2,1-2H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid?
2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 82237814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).