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

C6H12N2O4S — CID 114806331

IUPAC2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCNS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C6H12N2O4S/c1-7-13(11,12)8-3-5(4-8)2-6(9)10/h5,7H,2-4H2,1H3,(H,9,10)
InChIKeyUCTGYXREOGTQNB-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.14
Rot. Bonds4

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

2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid (PubChem CID 114806331) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid
PubChem CID114806331
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCNS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C6H12N2O4S/c1-7-13(11,12)8-3-5(4-8)2-6(9)10/h5,7H,2-4H2,1H3,(H,9,10)
InChIKeyUCTGYXREOGTQNB-UHFFFAOYSA-N
XLogP-1.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.14
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-(Methylsulfonyl)azetidin-3-yl)acetic acid
CID 64618030
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-(Diethylsulfamoylamino)-2-methylbutanoic acid
CID 80540484

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid (CID 114806331) is 2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid is CNS(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid?
The InChIKey is UCTGYXREOGTQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-7-13(11,12)8-3-5(4-8)2-6(9)10/h5,7H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid?
2-[1-(methylsulfamoyl)azetidin-3-yl]acetic acid has a molecular weight of 208.24 g/mol, XLogP of -1.14, 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]acetic acid is sourced from PubChem (CID 114806331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).