(2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid

C6H11F3N2O4S — CID 89124129

IUPAC(2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)CC(F)(F)F)C(=O)O
InChIInChI=1S/C6H11F3N2O4S/c7-6(8,9)3-16(14,15)11-2-1-4(10)5(12)13/h4,11H,1-3,10H2,(H,12,13)/t4-/m0/s1
InChIKeyYHIUGSMWAAYFJE-BYPYZUCNSA-N
MW264.22 g/mol
LogP-0.73
Rot. Bonds6

About (2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid

(2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid (PubChem CID 89124129) has the molecular formula C6H11F3N2O4S and a molecular weight of 264.22 g/mol. Its IUPAC name is (2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid
PubChem CID89124129
Molecular FormulaC6H11F3N2O4S
Molecular Weight264.22 g/mol
Exact Mass264.04
IUPAC Name(2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)CC(F)(F)F)C(=O)O
InChIInChI=1S/C6H11F3N2O4S/c7-6(8,9)3-16(14,15)11-2-1-4(10)5(12)13/h4,11H,1-3,10H2,(H,12,13)/t4-/m0/s1
InChIKeyYHIUGSMWAAYFJE-BYPYZUCNSA-N
XLogP-0.73
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Homocysteine sulfonamide
CID 134185
4-(Dimethylamino)-2-{[(perfluorobutyl)sulfonyl]amino}butanoic acid
CID 139596651
2-Amino-4-sulfamoylbutanoic acid
CID 225085
(2R)-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid
CID 83068615
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
CID 87289497
(2S)-2-amino-3-(2,2,2-trifluoroethylsulfonylamino)propanoic acid
CID 87289535
2-Amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
CID 87289633
2-Amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid
CID 87358081
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123541
2-Amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123542
(2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
CID 89124254
2-Amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
CID 89124256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid (CID 89124129) is (2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid is N[C@@H](CCNS(=O)(=O)CC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid?
The InChIKey is YHIUGSMWAAYFJE-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11F3N2O4S/c7-6(8,9)3-16(14,15)11-2-1-4(10)5(12)13/h4,11H,1-3,10H2,(H,12,13)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid?
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid has a molecular weight of 264.22 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(2,2,2-trifluoroethylsulfonylamino)butanoic acid is sourced from PubChem (CID 89124129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).