4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid

C10H21NO5S — CID 114940682

IUPAC4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid
SMILESCCOC(C)(C)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H21NO5S/c1-4-16-10(2,3)8-11-17(14,15)7-5-6-9(12)13/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyOYHUSMHTOBSRBH-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.59
Rot. Bonds9

About 4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid

4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid (PubChem CID 114940682) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid
PubChem CID114940682
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Name4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid
SMILESCCOC(C)(C)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H21NO5S/c1-4-16-10(2,3)8-11-17(14,15)7-5-6-9(12)13/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyOYHUSMHTOBSRBH-UHFFFAOYSA-N
XLogP0.59
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethoxy-2-methylpropyl)sulfamoyl]acetic acid
CID 114940667
N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114944335
3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114943825
N-(2-ethoxy-2-methylpropyl)ethanesulfonamide
CID 114944336
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]butanoic acid
CID 114518052
4-(3-methoxypropylsulfamoyl)butanoic acid
CID 28513471
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625
N-(2-ethoxy-2-methylpropyl)methanesulfonamide
CID 114944342
7-(butylsulfonylamino)heptanoic acid
CID 24704780
4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
CID 55097859
3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid
CID 66002556
4-(3-methylsulfanylpropylsulfamoyl)butanoic acid
CID 63965509

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid (CID 114940682) is 4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid is CCOC(C)(C)CNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid?
The InChIKey is OYHUSMHTOBSRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-4-16-10(2,3)8-11-17(14,15)7-5-6-9(12)13/h11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid?
4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid has a molecular weight of 267.35 g/mol, XLogP of 0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 114940682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).