2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

C14H19N3O4 — CID 102657300

IUPAC2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCc1nnc(C)cc1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C14H19N3O4/c1-4-11-10(5-9(2)15-16-11)13(20)17-7-14(3,8-17)21-6-12(18)19/h5H,4,6-8H2,1-3H3,(H,18,19)
InChIKeyJDQGGZAJOYENKF-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.66
Rot. Bonds5

About 2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657300) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657300
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCc1nnc(C)cc1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C14H19N3O4/c1-4-11-10(5-9(2)15-16-11)13(20)17-7-14(3,8-17)21-6-12(18)19/h5H,4,6-8H2,1-3H3,(H,18,19)
InChIKeyJDQGGZAJOYENKF-UHFFFAOYSA-N
XLogP0.66
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657300) is 2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is CCc1nnc(C)cc1C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is JDQGGZAJOYENKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-4-11-10(5-9(2)15-16-11)13(20)17-7-14(3,8-17)21-6-12(18)19/h5H,4,6-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).