2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

C11H11Cl2N3O4 — CID 102657196

IUPAC2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)c2cc(Cl)nnc2Cl)C1
InChIInChI=1S/C11H11Cl2N3O4/c1-11(20-3-8(17)18)4-16(5-11)10(19)6-2-7(12)14-15-9(6)13/h2H,3-5H2,1H3,(H,17,18)
InChIKeyGLRJZJZKQGUCMQ-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.10
Rot. Bonds4

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

2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657196) has the molecular formula C11H11Cl2N3O4 and a molecular weight of 320.13 g/mol. Its IUPAC name is 2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657196
Molecular FormulaC11H11Cl2N3O4
Molecular Weight320.13 g/mol
Exact Mass319.01
IUPAC Name2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)c2cc(Cl)nnc2Cl)C1
InChIInChI=1S/C11H11Cl2N3O4/c1-11(20-3-8(17)18)4-16(5-11)10(19)6-2-7(12)14-15-9(6)13/h2H,3-5H2,1H3,(H,17,18)
InChIKeyGLRJZJZKQGUCMQ-UHFFFAOYSA-N
XLogP1.10
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,6-dichloropyridazine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870220
2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102801376
2-[1-(3-amino-4-chlorobenzoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658189
2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657658
(3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone
CID 131053206
2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657522
2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 114102920
2-[1-(4-bromobenzoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657591
2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 103117253
2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658268
1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720662
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657276

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657196) is 2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)c2cc(Cl)nnc2Cl)C1.
What is the InChIKey of 2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is GLRJZJZKQGUCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O4/c1-11(20-3-8(17)18)4-16(5-11)10(19)6-2-7(12)14-15-9(6)13/h2H,3-5H2,1H3,(H,17,18).
What are the key properties of 2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 320.13 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).