2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid

C7H14N2O4S — CID 114806335

IUPAC2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCCNS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C7H14N2O4S/c1-2-8-14(12,13)9-4-6(5-9)3-7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyPFDJQERRBJZADY-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.75
Rot. Bonds5

About 2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid

2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid (PubChem CID 114806335) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid
PubChem CID114806335
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCCNS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C7H14N2O4S/c1-2-8-14(12,13)9-4-6(5-9)3-7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyPFDJQERRBJZADY-UHFFFAOYSA-N
XLogP-0.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806332
2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114807128
4-(Dimethylsulfamoylamino)butanoic acid
CID 24263003
2-[1-[Methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64617023
2-[1-(Dimethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64617435
2-[1-(Diethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64618429
2-[1-[Butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64619012
2-[1-(Dipropylsulfamoyl)azetidin-3-yl]acetic acid
CID 64619020
2-Methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 80540254
4-(Dimethylsulfamoylamino)-2-methylbutanoic acid
CID 80540276
4-(Dipropylsulfamoylamino)-2-methylbutanoic acid
CID 80540285
4-[[Butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid
CID 80540305

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid (CID 114806335) is 2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid is CCNS(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid?
The InChIKey is PFDJQERRBJZADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-2-8-14(12,13)9-4-6(5-9)3-7(10)11/h6,8H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid?
2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid has a molecular weight of 222.27 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylsulfamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 114806335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).