4-(2-sulfamoylethylcarbamoylamino)butanoic acid

C7H15N3O5S — CID 61200756

IUPAC4-(2-sulfamoylethylcarbamoylamino)butanoic acid
SMILESNS(=O)(=O)CCNC(=O)NCCCC(=O)O
InChIInChI=1S/C7H15N3O5S/c8-16(14,15)5-4-10-7(13)9-3-1-2-6(11)12/h1-5H2,(H,11,12)(H2,8,14,15)(H2,9,10,13)
InChIKeyIWFRLAURPHMZJJ-UHFFFAOYSA-N
MW253.28 g/mol
LogP-1.56
Rot. Bonds7

About 4-(2-sulfamoylethylcarbamoylamino)butanoic acid

4-(2-sulfamoylethylcarbamoylamino)butanoic acid (PubChem CID 61200756) has the molecular formula C7H15N3O5S and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(2-sulfamoylethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-sulfamoylethylcarbamoylamino)butanoic acid
PubChem CID61200756
Molecular FormulaC7H15N3O5S
Molecular Weight253.28 g/mol
Exact Mass253.07
IUPAC Name4-(2-sulfamoylethylcarbamoylamino)butanoic acid
SMILESNS(=O)(=O)CCNC(=O)NCCCC(=O)O
InChIInChI=1S/C7H15N3O5S/c8-16(14,15)5-4-10-7(13)9-3-1-2-6(11)12/h1-5H2,(H,11,12)(H2,8,14,15)(H2,9,10,13)
InChIKeyIWFRLAURPHMZJJ-UHFFFAOYSA-N
XLogP-1.56
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-sulfamoylethylcarbamoylamino)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-(2-sulfamoylethylcarbamoylamino)butanoic acid?
The IUPAC name of 4-(2-sulfamoylethylcarbamoylamino)butanoic acid (CID 61200756) is 4-(2-sulfamoylethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-(2-sulfamoylethylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-(2-sulfamoylethylcarbamoylamino)butanoic acid is NS(=O)(=O)CCNC(=O)NCCCC(=O)O.
What is the InChIKey of 4-(2-sulfamoylethylcarbamoylamino)butanoic acid?
The InChIKey is IWFRLAURPHMZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O5S/c8-16(14,15)5-4-10-7(13)9-3-1-2-6(11)12/h1-5H2,(H,11,12)(H2,8,14,15)(H2,9,10,13).
What are the key properties of 4-(2-sulfamoylethylcarbamoylamino)butanoic acid?
4-(2-sulfamoylethylcarbamoylamino)butanoic acid has a molecular weight of 253.28 g/mol, XLogP of -1.56, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-sulfamoylethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 61200756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).