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

C6H11F3N2O4S — CID 87289497

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

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

(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid (PubChem CID 87289497) 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-trifluoroethylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
PubChem CID87289497
Molecular FormulaC6H11F3N2O4S
Molecular Weight264.22 g/mol
Exact Mass264.04
IUPAC Name(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
SMILESN[C@@H](CCS(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H11F3N2O4S/c7-6(8,9)3-11-16(14,15)2-1-4(10)5(12)13/h4,11H,1-3,10H2,(H,12,13)/t4-/m0/s1
InChIKeyLREJQRDWABFRLI-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid (CID 87289497) is (2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid is N[C@@H](CCS(=O)(=O)NCC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid?
The InChIKey is LREJQRDWABFRLI-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11F3N2O4S/c7-6(8,9)3-11-16(14,15)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-trifluoroethylsulfamoyl)butanoic acid?
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)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-trifluoroethylsulfamoyl)butanoic acid is sourced from PubChem (CID 87289497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).