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

C7H12N2O6S — CID 114462753

IUPAC2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCOC(=O)NS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C7H12N2O6S/c1-15-7(12)8-16(13,14)9-3-5(4-9)2-6(10)11/h5H,2-4H2,1H3,(H,8,12)(H,10,11)
InChIKeyOBGDARFESOJHBI-UHFFFAOYSA-N
MW252.25 g/mol
LogP-1.01
Rot. Bonds4

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

2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid (PubChem CID 114462753) has the molecular formula C7H12N2O6S and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
PubChem CID114462753
Molecular FormulaC7H12N2O6S
Molecular Weight252.25 g/mol
Exact Mass252.04
IUPAC Name2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCOC(=O)NS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C7H12N2O6S/c1-15-7(12)8-16(13,14)9-3-5(4-9)2-6(10)11/h5H,2-4H2,1H3,(H,8,12)(H,10,11)
InChIKeyOBGDARFESOJHBI-UHFFFAOYSA-N
XLogP-1.01
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(Dimethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64617435
2-[1-[Butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64619012
4-[Methoxycarbonylsulfamoyl(methyl)amino]butanoic acid
CID 114462062
1-(Methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
CID 114462717
2-[1-(Ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
CID 114462751
2-[1-(Propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
CID 114462752
4-(Methoxycarbonylsulfamoylamino)-2-methylbutanoic acid
CID 114462895
4-(Methoxycarbonylsulfamoylamino)-3-methylbutanoic acid
CID 114462905
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
2-[1-(Propylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806330

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid (CID 114462753) is 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid is COC(=O)NS(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid?
The InChIKey is OBGDARFESOJHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O6S/c1-15-7(12)8-16(13,14)9-3-5(4-9)2-6(10)11/h5H,2-4H2,1H3,(H,8,12)(H,10,11).
What are the key properties of 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid?
2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid has a molecular weight of 252.25 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 114462753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).