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

C10H20N2O5S — CID 102657723

IUPAC2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCN(CC)S(=O)(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H20N2O5S/c1-4-11(5-2)18(15,16)12-7-10(3,8-12)17-6-9(13)14/h4-8H2,1-3H3,(H,13,14)
InChIKeyPIERMNVHNPWIHW-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.25
Rot. Bonds7

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

2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657723) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657723
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCN(CC)S(=O)(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H20N2O5S/c1-4-11(5-2)18(15,16)12-7-10(3,8-12)17-6-9(13)14/h4-8H2,1-3H3,(H,13,14)
InChIKeyPIERMNVHNPWIHW-UHFFFAOYSA-N
XLogP-0.25
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657755
2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid
CID 102657711
2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid
CID 102657811
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
2-[1-(3,5-dichlorophenyl)sulfonyl-3-methylazetidin-3-yl]oxyacetic acid
CID 102657796
2-[1-(2,5-dimethylphenyl)sulfonyl-3-methylazetidin-3-yl]oxyacetic acid
CID 102657783
2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658788
2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658695
2-[1-[ethyl(2-methoxyethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658693
2-[3-methyl-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]oxyacetic acid
CID 102657306
2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid
CID 103414427
2-[1-(3-bromophenyl)sulfonyl-3-methylazetidin-3-yl]oxyacetic acid
CID 102657759

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657723) is 2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid is CCN(CC)S(=O)(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is PIERMNVHNPWIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-4-11(5-2)18(15,16)12-7-10(3,8-12)17-6-9(13)14/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 280.35 g/mol, XLogP of -0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).