4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid

C8H17N3O5S — CID 43552616

IUPAC4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C8H17N3O5S/c1-11(5-2-3-7(12)13)8(14)10-4-6-17(9,15)16/h2-6H2,1H3,(H,10,14)(H,12,13)(H2,9,15,16)
InChIKeyBZKNHIFYVRAVGR-UHFFFAOYSA-N
MW267.31 g/mol
LogP-1.22
Rot. Bonds7

About 4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid

4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid (PubChem CID 43552616) has the molecular formula C8H17N3O5S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid
PubChem CID43552616
Molecular FormulaC8H17N3O5S
Molecular Weight267.31 g/mol
Exact Mass267.09
IUPAC Name4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C8H17N3O5S/c1-11(5-2-3-7(12)13)8(14)10-4-6-17(9,15)16/h2-6H2,1H3,(H,10,14)(H,12,13)(H2,9,15,16)
InChIKeyBZKNHIFYVRAVGR-UHFFFAOYSA-N
XLogP-1.22
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid (CID 43552616) is 4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)NCCS(N)(=O)=O.
What is the InChIKey of 4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid?
The InChIKey is BZKNHIFYVRAVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O5S/c1-11(5-2-3-7(12)13)8(14)10-4-6-17(9,15)16/h2-6H2,1H3,(H,10,14)(H,12,13)(H2,9,15,16).
What are the key properties of 4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid?
4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid has a molecular weight of 267.31 g/mol, XLogP of -1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-sulfamoylethylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 43552616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).