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

C10H18N2O6S — CID 114463063

IUPAC2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C10H18N2O6S/c1-6(2)18-10(15)11-19(16,17)12-4-8(5-12)7(3)9(13)14/h6-8H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyJPEZVORQGLDIER-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.02
Rot. Bonds5

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

2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid (PubChem CID 114463063) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
PubChem CID114463063
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C10H18N2O6S/c1-6(2)18-10(15)11-19(16,17)12-4-8(5-12)7(3)9(13)14/h6-8H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyJPEZVORQGLDIER-UHFFFAOYSA-N
XLogP0.02
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-4-methyl-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 105578865
4-Methyl-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 113588666
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
2-[1-(Ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
CID 114462751
2-[1-(Propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
CID 114462752
2-[1-(Methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
CID 114462753
2-[1-(Ethoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463062
2-[1-(Methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463064
2-[1-(2-Methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114814890

Frequently Asked Questions

What is the IUPAC name of 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid (CID 114463063) is 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid is CC(C)OC(=O)NS(=O)(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is JPEZVORQGLDIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-6(2)18-10(15)11-19(16,17)12-4-8(5-12)7(3)9(13)14/h6-8H,4-5H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid?
2-[1-(propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 294.33 g/mol, XLogP of 0.02, 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]propanoic acid is sourced from PubChem (CID 114463063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).