2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid

C10H21NO4S — CID 79810255

IUPAC2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid
SMILESCCC(CC)(NCCS(=O)(=O)CC)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-4-10(5-2,9(12)13)11-7-8-16(14,15)6-3/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyNOVQTCOYXDJAGT-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.65
Rot. Bonds8

About 2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid

2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid (PubChem CID 79810255) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid
PubChem CID79810255
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid
SMILESCCC(CC)(NCCS(=O)(=O)CC)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-4-10(5-2,9(12)13)11-7-8-16(14,15)6-3/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyNOVQTCOYXDJAGT-UHFFFAOYSA-N
XLogP0.65
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-(2-ethylsulfonylethylamino)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

2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid
CID 106727638
2-ethyl-2-(hexylamino)butanoic acid
CID 79804258
2-(3-aminopropylamino)-2-ethylbutanoic acid
CID 78987423
2-(2-ethylsulfonylethylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788947
2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid
CID 43808028
2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid
CID 114987750
2-ethyl-2-(4-methoxybutylamino)butanoic acid
CID 115595143
2-(cyanomethylamino)-2-ethylbutanoic acid
CID 79810338
2-ethyl-2-formamidobutanoic acid
CID 63689307
2-(butylamino)-2-ethyl-4-oxopentanoic acid
CID 122603773
2-ethyl-2-(2-phenoxyethylamino)butanoic acid
CID 78974687
2-ethyl-4-methyl-2-(pentylamino)hexanoic acid
CID 114994123

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid (CID 79810255) is 2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid is CCC(CC)(NCCS(=O)(=O)CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid?
The InChIKey is NOVQTCOYXDJAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-4-10(5-2,9(12)13)11-7-8-16(14,15)6-3/h11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid?
2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid has a molecular weight of 251.35 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid is sourced from PubChem (CID 79810255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).