1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid

C7H12N2O6S — CID 114462715

IUPAC1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
SMILESCCOC(=O)NS(=O)(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C7H12N2O6S/c1-2-15-7(12)8-16(13,14)9-3-5(4-9)6(10)11/h5H,2-4H2,1H3,(H,8,12)(H,10,11)
InChIKeyPOGXPYXMSRSDOX-UHFFFAOYSA-N
MW252.25 g/mol
LogP-1.01
Rot. Bonds4

About 1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid

1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid (PubChem CID 114462715) has the molecular formula C7H12N2O6S and a molecular weight of 252.25 g/mol. Its IUPAC name is 1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
PubChem CID114462715
Molecular FormulaC7H12N2O6S
Molecular Weight252.25 g/mol
Exact Mass252.04
IUPAC Name1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
SMILESCCOC(=O)NS(=O)(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C7H12N2O6S/c1-2-15-7(12)8-16(13,14)9-3-5(4-9)6(10)11/h5H,2-4H2,1H3,(H,8,12)(H,10,11)
InChIKeyPOGXPYXMSRSDOX-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

Methyl 3-[[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-methylamino]propanoate
CID 104919602
3-[Ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462274
3-[Methoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462277
3-[Ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid
CID 114462291
3-[Ethoxycarbonylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 114462441
2-Methyl-3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462442
3-[Methoxycarbonylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 114462444
3-[Ethoxycarbonylsulfamoyl(ethyl)amino]-2-methylpropanoic acid
CID 114462542
3-[Ethyl(propan-2-yloxycarbonylsulfamoyl)amino]-2-methylpropanoic acid
CID 114462543
3-[Ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid
CID 114462544
1-(Propan-2-yloxycarbonylsulfamoyl)azetidine-3-carboxylic acid
CID 114462716
1-(Methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
CID 114462717

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid (CID 114462715) is 1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid is CCOC(=O)NS(=O)(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid?
The InChIKey is POGXPYXMSRSDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O6S/c1-2-15-7(12)8-16(13,14)9-3-5(4-9)6(10)11/h5H,2-4H2,1H3,(H,8,12)(H,10,11).
What are the key properties of 1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid?
1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic 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 1-(ethoxycarbonylsulfamoyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 114462715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).