4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid

C6H10F3NO4S — CID 43172920

IUPAC4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-10(4-2-3-5(11)12)15(13,14)6(7,8)9/h2-4H2,1H3,(H,11,12)
InChIKeyAEZIFLUYCJGYGN-UHFFFAOYSA-N
MW249.21 g/mol
LogP0.63
Rot. Bonds5

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

4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid (PubChem CID 43172920) has the molecular formula C6H10F3NO4S and a molecular weight of 249.21 g/mol. Its IUPAC name is 4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid
PubChem CID43172920
Molecular FormulaC6H10F3NO4S
Molecular Weight249.21 g/mol
Exact Mass249.03
IUPAC Name4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-10(4-2-3-5(11)12)15(13,14)6(7,8)9/h2-4H2,1H3,(H,11,12)
InChIKeyAEZIFLUYCJGYGN-UHFFFAOYSA-N
XLogP0.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[methyl(trifluoromethylsulfonyl)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-Carboxypropyl-fluoro-methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanium
CID 87153880
4-[Difluoromethylsulfonyl(methyl)amino]butanoic acid
CID 43151883
Methyl 4-[methyl(trifluoromethylsulfonyl)amino]butanoate
CID 55208594
4-[Propan-2-yl(trifluoromethylsulfonyl)amino]butanoic acid
CID 60828457
4-[Difluoromethylsulfonyl(propan-2-yl)amino]butanoic acid
CID 60829785
3-[Methyl(trifluoromethylsulfonyl)amino]propanoic acid
CID 60990121
Methyl 4-[difluoromethylsulfonyl(methyl)amino]butanoate
CID 61601418
2-[1-(Difluoromethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617430
2-[1-(Trifluoromethylsulfonyl)azetidin-3-yl]acetic acid
CID 64618813
4-[Methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoic acid
CID 83068099
4-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805418
2-[1-(Trifluoromethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681731

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid (CID 43172920) is 4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid?
The InChIKey is AEZIFLUYCJGYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4S/c1-10(4-2-3-5(11)12)15(13,14)6(7,8)9/h2-4H2,1H3,(H,11,12).
What are the key properties of 4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid?
4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid has a molecular weight of 249.21 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(trifluoromethylsulfonyl)amino]butanoic acid is sourced from PubChem (CID 43172920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).