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

C5H9F3N2O4S — CID 89124254

IUPAC(2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
SMILESN[C@@H](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)/t3-/m0/s1
InChIKeyDZZLMOUELFWGLV-VKHMYHEASA-N
MW250.20 g/mol
LogP-1.12
Rot. Bonds5

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

(2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid (PubChem CID 89124254) has the molecular formula C5H9F3N2O4S and a molecular weight of 250.20 g/mol. Its IUPAC name is (2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
PubChem CID89124254
Molecular FormulaC5H9F3N2O4S
Molecular Weight250.20 g/mol
Exact Mass250.02
IUPAC Name(2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
SMILESN[C@@H](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)/t3-/m0/s1
InChIKeyDZZLMOUELFWGLV-VKHMYHEASA-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

Analyze (2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid (CID 89124254) is (2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid is N[C@@H](CS(=O)(=O)NCC(F)(F)F)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid?
The InChIKey is DZZLMOUELFWGLV-VKHMYHEASA-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)/t3-/m0/s1.
What are the key properties of (2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid?
(2R)-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 (2R)-2-amino-3-(2,2,2-trifluoroethylsulfamoyl)propanoic acid is sourced from PubChem (CID 89124254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).