pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid

C7H10F3NO4 — CID 71089524

IUPACpyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)N1CCCC1
InChIInChI=1S/C5H9NO2.C2HF3O2/c7-5(8)6-3-1-2-4-6;3-2(4,5)1(6)7/h1-4H2,(H,7,8);(H,6,7)
InChIKeyFGEJNHYAWIIQIE-UHFFFAOYSA-N
MW229.15 g/mol
LogP1.39
Rot. Bonds

About pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid

pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 71089524) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID71089524
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Namepyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)N1CCCC1
InChIInChI=1S/C5H9NO2.C2HF3O2/c7-5(8)6-3-1-2-4-6;3-2(4,5)1(6)7/h1-4H2,(H,7,8);(H,6,7)
InChIKeyFGEJNHYAWIIQIE-UHFFFAOYSA-N
XLogP1.39
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic 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 pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid (CID 71089524) is pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)N1CCCC1.
What is the InChIKey of pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is FGEJNHYAWIIQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C2HF3O2/c7-5(8)6-3-1-2-4-6;3-2(4,5)1(6)7/h1-4H2,(H,7,8);(H,6,7).
What are the key properties of pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid?
pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 229.15 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71089524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).