3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid

C8H14F3NO3 — CID 79789654

IUPAC3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid
SMILESCC(C)(O)CNC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-6(2,15)4-12-7(3,5(13)14)8(9,10)11/h12,15H,4H2,1-3H3,(H,13,14)
InChIKeyOFPHFQGIRQOVFK-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.75
Rot. Bonds4

About 3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid

3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid (PubChem CID 79789654) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid
PubChem CID79789654
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid
SMILESCC(C)(O)CNC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-6(2,15)4-12-7(3,5(13)14)8(9,10)11/h12,15H,4H2,1-3H3,(H,13,14)
InChIKeyOFPHFQGIRQOVFK-UHFFFAOYSA-N
XLogP0.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic 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 3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid (CID 79789654) is 3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid is CC(C)(O)CNC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid?
The InChIKey is OFPHFQGIRQOVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-6(2,15)4-12-7(3,5(13)14)8(9,10)11/h12,15H,4H2,1-3H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid?
3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid has a molecular weight of 229.20 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-hydroxy-2-methylpropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79789654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).