2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid

C10H19NO5S — CID 102659654

IUPAC2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCS(=O)(=O)CCN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H19NO5S/c1-3-17(14,15)5-4-11-7-10(2,8-11)16-6-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyZFYLBSYAQMZYKO-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.40
Rot. Bonds7

About 2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659654) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659654
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCS(=O)(=O)CCN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H19NO5S/c1-3-17(14,15)5-4-11-7-10(2,8-11)16-6-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyZFYLBSYAQMZYKO-UHFFFAOYSA-N
XLogP-0.40
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659568
2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid
CID 102659384
2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659532
2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid
CID 102657711
2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657755
2-[1-[(E)-but-2-enyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659302
2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657723
2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102659604
2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid
CID 102657811
2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659454
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659707

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102659654) is 2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid is CCS(=O)(=O)CCN1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is ZFYLBSYAQMZYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-3-17(14,15)5-4-11-7-10(2,8-11)16-6-9(12)13/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 265.33 g/mol, XLogP of -0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).