2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid

C6H13N3O5S — CID 43552617

IUPAC2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C6H13N3O5S/c1-9(4-5(10)11)6(12)8-2-3-15(7,13)14/h2-4H2,1H3,(H,8,12)(H,10,11)(H2,7,13,14)
InChIKeyHNZIHGQEUFUZME-UHFFFAOYSA-N
MW239.25 g/mol
LogP-2.00
Rot. Bonds5

About 2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid

2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid (PubChem CID 43552617) has the molecular formula C6H13N3O5S and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
PubChem CID43552617
Molecular FormulaC6H13N3O5S
Molecular Weight239.25 g/mol
Exact Mass239.06
IUPAC Name2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C6H13N3O5S/c1-9(4-5(10)11)6(12)8-2-3-15(7,13)14/h2-4H2,1H3,(H,8,12)(H,10,11)(H2,7,13,14)
InChIKeyHNZIHGQEUFUZME-UHFFFAOYSA-N
XLogP-2.00
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic 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 2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid (CID 43552617) is 2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid is CN(CC(=O)O)C(=O)NCCS(N)(=O)=O.
What is the InChIKey of 2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
The InChIKey is HNZIHGQEUFUZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O5S/c1-9(4-5(10)11)6(12)8-2-3-15(7,13)14/h2-4H2,1H3,(H,8,12)(H,10,11)(H2,7,13,14).
What are the key properties of 2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid has a molecular weight of 239.25 g/mol, XLogP of -2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 43552617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).