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

C8H14N2O6S — CID 114463064

IUPAC2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCOC(=O)NS(=O)(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C8H14N2O6S/c1-5(7(11)12)6-3-10(4-6)17(14,15)9-8(13)16-2/h5-6H,3-4H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyAEJQFTJWADCRGO-UHFFFAOYSA-N
MW266.27 g/mol
LogP-0.76
Rot. Bonds4

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

2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid (PubChem CID 114463064) has the molecular formula C8H14N2O6S and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
PubChem CID114463064
Molecular FormulaC8H14N2O6S
Molecular Weight266.27 g/mol
Exact Mass266.06
IUPAC Name2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCOC(=O)NS(=O)(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C8H14N2O6S/c1-5(7(11)12)6-3-10(4-6)17(14,15)9-8(13)16-2/h5-6H,3-4H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyAEJQFTJWADCRGO-UHFFFAOYSA-N
XLogP-0.76
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114807128
2-[1-(Dimethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64617435
2-[1-[Butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64619012
(3S,4S)-1-(methoxycarbonylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 105578864
2-[1-(Dipropylsulfamoyl)azetidin-3-yl]propanoic acid
CID 113551586
4-[Methoxycarbonylsulfamoyl(methyl)amino]butanoic acid
CID 114462062
1-(Methoxycarbonylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114462674
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-(Propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463063

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid (CID 114463064) is 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid is COC(=O)NS(=O)(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is AEJQFTJWADCRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6S/c1-5(7(11)12)6-3-10(4-6)17(14,15)9-8(13)16-2/h5-6H,3-4H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid?
2-[1-(methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 266.27 g/mol, XLogP of -0.76, 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]propanoic acid is sourced from PubChem (CID 114463064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).