4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid

C8H16N2O6S — CID 114462057

IUPAC4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid
SMILESCCOC(=O)NS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C8H16N2O6S/c1-3-16-8(13)9-17(14,15)10(2)6-4-5-7(11)12/h3-6H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyVEIRYUMGSFHRSV-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.23
Rot. Bonds7

About 4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid

4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid (PubChem CID 114462057) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid
PubChem CID114462057
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid
SMILESCCOC(=O)NS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C8H16N2O6S/c1-3-16-8(13)9-17(14,15)10(2)6-4-5-7(11)12/h3-6H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyVEIRYUMGSFHRSV-UHFFFAOYSA-N
XLogP-0.23
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[ethoxycarbonylsulfamoyl(methyl)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

Related Compounds

3-[(4-Ethoxy-4-oxobutyl)sulfamoyl-methylamino]propanoic acid
CID 65684039
Methyl 4-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoate
CID 113589126
4-(Ethoxycarbonylsulfamoylamino)butanoic acid
CID 114461881
4-(Propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114461882
4-[Methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 114462060
4-[Methoxycarbonylsulfamoyl(methyl)amino]butanoic acid
CID 114462062
4-[Ethoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 114462146
4-[Propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 114462148
4-[Methoxycarbonylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 114462150
3-[Ethoxycarbonylsulfamoyl(ethyl)amino]propanoic acid
CID 114462291
3-[Ethoxycarbonylsulfamoyl(ethyl)amino]butanoic acid
CID 114462539
2-[1-(Ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
CID 114462751

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid (CID 114462057) is 4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid is CCOC(=O)NS(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid?
The InChIKey is VEIRYUMGSFHRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-3-16-8(13)9-17(14,15)10(2)6-4-5-7(11)12/h3-6H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid?
4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid has a molecular weight of 268.29 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxycarbonylsulfamoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 114462057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).