4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid

C10H21N3O5S — CID 106340802

IUPAC4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid
SMILESCCNS(=O)(=O)CCNC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H21N3O5S/c1-3-12-19(17,18)8-6-11-10(16)13(2)7-4-5-9(14)15/h12H,3-8H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyUVLATCYAKGGPSE-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.57
Rot. Bonds9

About 4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid

4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid (PubChem CID 106340802) has the molecular formula C10H21N3O5S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid
PubChem CID106340802
Molecular FormulaC10H21N3O5S
Molecular Weight295.36 g/mol
Exact Mass295.12
IUPAC Name4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid
SMILESCCNS(=O)(=O)CCNC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H21N3O5S/c1-3-12-19(17,18)8-6-11-10(16)13(2)7-4-5-9(14)15/h12H,3-8H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyUVLATCYAKGGPSE-UHFFFAOYSA-N
XLogP-0.57
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid
CID 114174957
4-[methyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]butanoic acid
CID 114139559
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid
CID 106340782
4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106340043
3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 61195850
3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264
4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
CID 107201708
3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62997589
4-[(5-ethylthiophen-2-yl)methylcarbamoyl-methylamino]butanoic acid
CID 106005533
4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
CID 55097859

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid?
The IUPAC name of 4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid (CID 106340802) is 4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid?
The canonical SMILES for 4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid is CCNS(=O)(=O)CCNC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid?
The InChIKey is UVLATCYAKGGPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5S/c1-3-12-19(17,18)8-6-11-10(16)13(2)7-4-5-9(14)15/h12H,3-8H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid?
4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid has a molecular weight of 295.36 g/mol, XLogP of -0.57, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid is sourced from PubChem (CID 106340802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).