4-(2-sulfamoylethylamino)butanoic acid

C6H14N2O4S — CID 114385317

IUPAC4-(2-sulfamoylethylamino)butanoic acid
SMILESNS(=O)(=O)CCNCCCC(=O)O
InChIInChI=1S/C6H14N2O4S/c7-13(11,12)5-4-8-3-1-2-6(9)10/h8H,1-5H2,(H,9,10)(H2,7,11,12)
InChIKeyUJVJKMFXBGGTRD-UHFFFAOYSA-N
MW210.25 g/mol
LogP-1.27
Rot. Bonds7

About 4-(2-sulfamoylethylamino)butanoic acid

4-(2-sulfamoylethylamino)butanoic acid (PubChem CID 114385317) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-(2-sulfamoylethylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-sulfamoylethylamino)butanoic acid
PubChem CID114385317
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name4-(2-sulfamoylethylamino)butanoic acid
SMILESNS(=O)(=O)CCNCCCC(=O)O
InChIInChI=1S/C6H14N2O4S/c7-13(11,12)5-4-8-3-1-2-6(9)10/h8H,1-5H2,(H,9,10)(H2,7,11,12)
InChIKeyUJVJKMFXBGGTRD-UHFFFAOYSA-N
XLogP-1.27
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-carboxypropylamino)butanoic acid
CID 4072500
4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385391
4-methyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385390
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
2-(pentylamino)ethanesulfonamide
CID 43551719
4-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336425
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid
CID 141446490
4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid
CID 175848152
4-[23-(hydroxyamino)tricosylamino]butanoic acid
CID 141334650

Frequently Asked Questions

What is the IUPAC name of 4-(2-sulfamoylethylamino)butanoic acid?
The IUPAC name of 4-(2-sulfamoylethylamino)butanoic acid (CID 114385317) is 4-(2-sulfamoylethylamino)butanoic acid.
What is the SMILES notation for 4-(2-sulfamoylethylamino)butanoic acid?
The canonical SMILES for 4-(2-sulfamoylethylamino)butanoic acid is NS(=O)(=O)CCNCCCC(=O)O.
What is the InChIKey of 4-(2-sulfamoylethylamino)butanoic acid?
The InChIKey is UJVJKMFXBGGTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c7-13(11,12)5-4-8-3-1-2-6(9)10/h8H,1-5H2,(H,9,10)(H2,7,11,12).
What are the key properties of 4-(2-sulfamoylethylamino)butanoic acid?
4-(2-sulfamoylethylamino)butanoic acid has a molecular weight of 210.25 g/mol, XLogP of -1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-sulfamoylethylamino)butanoic acid is sourced from PubChem (CID 114385317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).