2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid

C6H11F3N2O4S — CID 114805476

IUPAC2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
SMILESCCC(NS(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H11F3N2O4S/c1-2-4(5(12)13)11-16(14,15)10-3-6(7,8)9/h4,10-11H,2-3H2,1H3,(H,12,13)
InChIKeyTVEAYQCLOCKYMA-UHFFFAOYSA-N
MW264.23 g/mol
LogP-0.16
Rot. Bonds6

About 2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid

2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid (PubChem CID 114805476) has the molecular formula C6H11F3N2O4S and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
PubChem CID114805476
Molecular FormulaC6H11F3N2O4S
Molecular Weight264.23 g/mol
Exact Mass264.04
IUPAC Name2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
SMILESCCC(NS(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H11F3N2O4S/c1-2-4(5(12)13)11-16(14,15)10-3-6(7,8)9/h4,10-11H,2-3H2,1H3,(H,12,13)
InChIKeyTVEAYQCLOCKYMA-UHFFFAOYSA-N
XLogP-0.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-5-oxo-2-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
CID 114806989
(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 104977827
2-methyl-6-(2,2,2-trifluoroethylsulfamoylamino)heptanoic acid
CID 114806412
4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
CID 114806969
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806866
(2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
CID 79260755
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
(2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid
CID 122069291
(2S)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 79006992
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate
CID 114811439

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid (CID 114805476) is 2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid is CCC(NS(=O)(=O)NCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid?
The InChIKey is TVEAYQCLOCKYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O4S/c1-2-4(5(12)13)11-16(14,15)10-3-6(7,8)9/h4,10-11H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid?
2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid has a molecular weight of 264.23 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 114805476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).