2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid

C11H14N2O4 — CID 105062220

IUPAC2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
SMILESCOc1ccc(=O)n(CC2(CC(=O)O)CC2)n1
InChIInChI=1S/C11H14N2O4/c1-17-8-2-3-9(14)13(12-8)7-11(4-5-11)6-10(15)16/h2-3H,4-7H2,1H3,(H,15,16)
InChIKeyMGPYGGFUQAHDME-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.51
Rot. Bonds5

About 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid

2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 105062220) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID105062220
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
SMILESCOc1ccc(=O)n(CC2(CC(=O)O)CC2)n1
InChIInChI=1S/C11H14N2O4/c1-17-8-2-3-9(14)13(12-8)7-11(4-5-11)6-10(15)16/h2-3H,4-7H2,1H3,(H,15,16)
InChIKeyMGPYGGFUQAHDME-UHFFFAOYSA-N
XLogP0.51
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid (CID 105062220) is 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid is COc1ccc(=O)n(CC2(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is MGPYGGFUQAHDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-8-2-3-9(14)13(12-8)7-11(4-5-11)6-10(15)16/h2-3H,4-7H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxy-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 105062220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).