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

C8H14N2O6S — CID 114462751

IUPAC2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCCOC(=O)NS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C8H14N2O6S/c1-2-16-8(13)9-17(14,15)10-4-6(5-10)3-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyFIEOYAAUDMVULO-UHFFFAOYSA-N
MW266.27 g/mol
LogP-0.62
Rot. Bonds5

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

2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid (PubChem CID 114462751) has the molecular formula C8H14N2O6S and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
PubChem CID114462751
Molecular FormulaC8H14N2O6S
Molecular Weight266.27 g/mol
Exact Mass266.06
IUPAC Name2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCCOC(=O)NS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C8H14N2O6S/c1-2-16-8(13)9-17(14,15)10-4-6(5-10)3-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyFIEOYAAUDMVULO-UHFFFAOYSA-N
XLogP-0.62
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[Ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid
CID 114462057
1-(Ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114462557
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-(Propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463063
2-[1-(Methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463064
2-[1-(Methylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806331
2-[1-(2-Methoxyethylsulfamoyl)azetidin-3-yl]acetic acid
CID 114814651
2-[1-(2-Methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114814890

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid (CID 114462751) is 2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid is CCOC(=O)NS(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid?
The InChIKey is FIEOYAAUDMVULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6S/c1-2-16-8(13)9-17(14,15)10-4-6(5-10)3-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid?
2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid has a molecular weight of 266.27 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 114462751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).