3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid

C9H14F3NO2 — CID 79801023

IUPAC3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid
SMILESCC1CCCN1C(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-6-4-3-5-13(6)8(2,7(14)15)9(10,11)12/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyJVIQWNZXURUYNA-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.88
Rot. Bonds2

About 3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid

3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid (PubChem CID 79801023) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid
PubChem CID79801023
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid
SMILESCC1CCCN1C(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-6-4-3-5-13(6)8(2,7(14)15)9(10,11)12/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyJVIQWNZXURUYNA-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)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 3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid (CID 79801023) is 3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid is CC1CCCN1C(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid?
The InChIKey is JVIQWNZXURUYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-6-4-3-5-13(6)8(2,7(14)15)9(10,11)12/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid?
3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid has a molecular weight of 225.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-(2-methylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 79801023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).