2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid

C11H15N3O4 — CID 116681223

IUPAC2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)C2=NNC(=O)CC2)C1
InChIInChI=1S/C11H15N3O4/c1-6(11(17)18)7-4-14(5-7)10(16)8-2-3-9(15)13-12-8/h6-7H,2-5H2,1H3,(H,13,15)(H,17,18)
InChIKeyYSZAFCAFDSTQEY-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.57
Rot. Bonds3

About 2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid

2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid (PubChem CID 116681223) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid
PubChem CID116681223
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)C2=NNC(=O)CC2)C1
InChIInChI=1S/C11H15N3O4/c1-6(11(17)18)7-4-14(5-7)10(16)8-2-3-9(15)13-12-8/h6-7H,2-5H2,1H3,(H,13,15)(H,17,18)
InChIKeyYSZAFCAFDSTQEY-UHFFFAOYSA-N
XLogP-0.57
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid (CID 116681223) is 2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)C2=NNC(=O)CC2)C1.
What is the InChIKey of 2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid?
The InChIKey is YSZAFCAFDSTQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6(11(17)18)7-4-14(5-7)10(16)8-2-3-9(15)13-12-8/h6-7H,2-5H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid?
2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).