1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid

C6H10N2O6S — CID 114462717

IUPAC1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
SMILESCOC(=O)NS(=O)(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C6H10N2O6S/c1-14-6(11)7-15(12,13)8-2-4(3-8)5(9)10/h4H,2-3H2,1H3,(H,7,11)(H,9,10)
InChIKeyIUHRDHZLJITVDQ-UHFFFAOYSA-N
MW238.22 g/mol
LogP-1.40
Rot. Bonds3

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

1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid (PubChem CID 114462717) has the molecular formula C6H10N2O6S and a molecular weight of 238.22 g/mol. Its IUPAC name is 1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
PubChem CID114462717
Molecular FormulaC6H10N2O6S
Molecular Weight238.22 g/mol
Exact Mass238.03
IUPAC Name1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
SMILESCOC(=O)NS(=O)(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C6H10N2O6S/c1-14-6(11)7-15(12,13)8-2-4(3-8)5(9)10/h4H,2-3H2,1H3,(H,7,11)(H,9,10)
InChIKeyIUHRDHZLJITVDQ-UHFFFAOYSA-N
XLogP-1.40
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methoxycarbonylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114462674
methyl N-(4-chloropiperidin-1-yl)sulfonylcarbamate
CID 114466190
methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate
CID 104929271
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
methyl N-(3-bromopyrrolidin-1-yl)sulfonylcarbamate
CID 114466527
(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929151
methyl N-(3-bromopiperidin-1-yl)sulfonylcarbamate
CID 114466569
methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate
CID 114467155
methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate
CID 114467046
methyl N-(4-cyanopiperidin-1-yl)sulfonylcarbamate
CID 114463451
methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
CID 168931490
1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid
CID 114463047

Frequently Asked Questions

What is the IUPAC name of 1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid (CID 114462717) is 1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid is COC(=O)NS(=O)(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid?
The InChIKey is IUHRDHZLJITVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O6S/c1-14-6(11)7-15(12,13)8-2-4(3-8)5(9)10/h4H,2-3H2,1H3,(H,7,11)(H,9,10).
What are the key properties of 1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid?
1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid has a molecular weight of 238.22 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 114462717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).