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

C8H16N2O4S — CID 114806334

IUPAC2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCC(C)NS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C8H16N2O4S/c1-6(2)9-15(13,14)10-4-7(5-10)3-8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyGTZYEMWEXLTHML-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.36
Rot. Bonds5

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

2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid (PubChem CID 114806334) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid
PubChem CID114806334
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCC(C)NS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C8H16N2O4S/c1-6(2)9-15(13,14)10-4-7(5-10)3-8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyGTZYEMWEXLTHML-UHFFFAOYSA-N
XLogP-0.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114807128
2-Amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid
CID 174658777
2-[[Butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 43172820
4-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 61137028
4-[[Methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 61455727
2-[1-[Cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64616223
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid (CID 114806334) is 2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid is CC(C)NS(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid?
The InChIKey is GTZYEMWEXLTHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-6(2)9-15(13,14)10-4-7(5-10)3-8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid?
2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid has a molecular weight of 236.29 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 114806334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).