2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid

C6H10F3NO4S — CID 60829468

IUPAC2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-4(2)10(3-5(11)12)15(13,14)6(7,8)9/h4H,3H2,1-2H3,(H,11,12)
InChIKeyGHVZRNGDYXGACG-UHFFFAOYSA-N
MW249.21 g/mol
LogP0.63
Rot. Bonds4

About 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid

2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid (PubChem CID 60829468) has the molecular formula C6H10F3NO4S and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid
PubChem CID60829468
Molecular FormulaC6H10F3NO4S
Molecular Weight249.21 g/mol
Exact Mass249.03
IUPAC Name2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-4(2)10(3-5(11)12)15(13,14)6(7,8)9/h4H,3H2,1-2H3,(H,11,12)
InChIKeyGHVZRNGDYXGACG-UHFFFAOYSA-N
XLogP0.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic 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 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid (CID 60829468) is 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid is CC(C)N(CC(=O)O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid?
The InChIKey is GHVZRNGDYXGACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4S/c1-4(2)10(3-5(11)12)15(13,14)6(7,8)9/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid?
2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid has a molecular weight of 249.21 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 60829468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).