2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid

C13H12F3NO3 — CID 57429663

IUPAC2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)9-2-1-3-10(6-9)17-7-8(4-11(17)18)5-12(19)20/h1-3,6,8H,4-5,7H2,(H,19,20)
InChIKeyPWSNKKQMMYUKQA-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.53
Rot. Bonds3

About 2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid

2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid (PubChem CID 57429663) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid
PubChem CID57429663
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)9-2-1-3-10(6-9)17-7-8(4-11(17)18)5-12(19)20/h1-3,6,8H,4-5,7H2,(H,19,20)
InChIKeyPWSNKKQMMYUKQA-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]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-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid (CID 57429663) is 2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid is O=C(O)CC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is PWSNKKQMMYUKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c14-13(15,16)9-2-1-3-10(6-9)17-7-8(4-11(17)18)5-12(19)20/h1-3,6,8H,4-5,7H2,(H,19,20).
What are the key properties of 2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid?
2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 287.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 57429663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).