2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid

C5H9F3N2O4S — CID 89124256

IUPAC2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
SMILESNC(CS(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C5H9F3N2O4S/c6-5(7,8)2-10-15(13,14)1-3(9)4(11)12/h3,10H,1-2,9H2,(H,11,12)
InChIKeyDZZLMOUELFWGLV-UHFFFAOYSA-N
MW250.20 g/mol
LogP-1.12
Rot. Bonds5

About 2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid

2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid (PubChem CID 89124256) has the molecular formula C5H9F3N2O4S and a molecular weight of 250.20 g/mol. Its IUPAC name is 2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
PubChem CID89124256
Molecular FormulaC5H9F3N2O4S
Molecular Weight250.20 g/mol
Exact Mass250.02
IUPAC Name2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
SMILESNC(CS(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C5H9F3N2O4S/c6-5(7,8)2-10-15(13,14)1-3(9)4(11)12/h3,10H,1-2,9H2,(H,11,12)
InChIKeyDZZLMOUELFWGLV-UHFFFAOYSA-N
XLogP-1.12
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid?
The IUPAC name of 2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid (CID 89124256) is 2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid is NC(CS(=O)(=O)NCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid?
The InChIKey is DZZLMOUELFWGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O4S/c6-5(7,8)2-10-15(13,14)1-3(9)4(11)12/h3,10H,1-2,9H2,(H,11,12).
What are the key properties of 2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid?
2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid has a molecular weight of 250.20 g/mol, XLogP of -1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid is sourced from PubChem (CID 89124256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).