2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid

C7H14N2O4S — CID 114807127

IUPAC2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCNS(=O)(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C7H14N2O4S/c1-5(7(10)11)6-3-9(4-6)14(12,13)8-2/h5-6,8H,3-4H2,1-2H3,(H,10,11)
InChIKeyNYVRIHIAWGMZBY-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.90
Rot. Bonds4

About 2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid

2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid (PubChem CID 114807127) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid
PubChem CID114807127
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCNS(=O)(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C7H14N2O4S/c1-5(7(10)11)6-3-9(4-6)14(12,13)8-2/h5-6,8H,3-4H2,1-2H3,(H,10,11)
InChIKeyNYVRIHIAWGMZBY-UHFFFAOYSA-N
XLogP-0.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.90
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
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
4-(Dimethylsulfamoylamino)-2-methylbutanoic acid
CID 80540276
4-(Dipropylsulfamoylamino)-2-methylbutanoic acid
CID 80540285
4-[[Butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid
CID 80540305
4-(Dimethylsulfamoylamino)-3-methylbutanoic acid
CID 81065325
4-[[Butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 81066030

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid (CID 114807127) is 2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid is CNS(=O)(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is NYVRIHIAWGMZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-5(7(10)11)6-3-9(4-6)14(12,13)8-2/h5-6,8H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid?
2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 222.27 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylsulfamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 114807127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).