2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid

C9H18N2O5S — CID 102657811

IUPAC2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid
SMILESCCCNS(=O)(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H18N2O5S/c1-3-4-10-17(14,15)11-6-9(2,7-11)16-5-8(12)13/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyRXFZASPOQMNANY-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.59
Rot. Bonds7

About 2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102657811) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid
PubChem CID102657811
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid
SMILESCCCNS(=O)(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H18N2O5S/c1-3-4-10-17(14,15)11-6-9(2,7-11)16-5-8(12)13/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyRXFZASPOQMNANY-UHFFFAOYSA-N
XLogP-0.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657723
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-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
2-[1-(2,5-dimethylphenyl)sulfonyl-3-methylazetidin-3-yl]oxyacetic acid
CID 102657783
2-[1-(3,5-dichlorophenyl)sulfonyl-3-methylazetidin-3-yl]oxyacetic acid
CID 102657796
2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658309
2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid
CID 102659342
3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide
CID 114812862
2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
CID 114807086
2-[3-methyl-1-(3-propoxypropanoyl)azetidin-3-yl]oxyacetic acid
CID 102657646
2-[3-methyl-1-(2-methylbutan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658447

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid (CID 102657811) is 2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid is CCCNS(=O)(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is RXFZASPOQMNANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-3-4-10-17(14,15)11-6-9(2,7-11)16-5-8(12)13/h10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 266.32 g/mol, XLogP of -0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).