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

C9H16N2O6S — CID 114462752

IUPAC2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H16N2O6S/c1-6(2)17-9(14)10-18(15,16)11-4-7(5-11)3-8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyWEGZIYICKJTLBI-UHFFFAOYSA-N
MW280.30 g/mol
LogP-0.23
Rot. Bonds5

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

2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid (PubChem CID 114462752) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
PubChem CID114462752
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H16N2O6S/c1-6(2)17-9(14)10-18(15,16)11-4-7(5-11)3-8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyWEGZIYICKJTLBI-UHFFFAOYSA-N
XLogP-0.23
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 113588649
2-Methyl-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 113588713
3-Methyl-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 113588714
4-[Ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid
CID 114462057
4-[Methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 114462060
4-[Propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 114462148
1-(Propan-2-yloxycarbonylsulfamoyl)azetidine-3-carboxylic acid
CID 114462716
2-[1-(Ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
CID 114462751
2-[1-(Methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
CID 114462753
2-[1-(Ethoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463062
2-[1-(Propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463063
2-[1-(Methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463064

Frequently Asked Questions

What is the IUPAC name of 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid (CID 114462752) is 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid is CC(C)OC(=O)NS(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid?
The InChIKey is WEGZIYICKJTLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6S/c1-6(2)17-9(14)10-18(15,16)11-4-7(5-11)3-8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid?
2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid has a molecular weight of 280.30 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 114462752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).