5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid

C12H10F3NO3 — CID 2775915

IUPAC5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)8-2-1-3-9(5-8)16-6-7(11(18)19)4-10(16)17/h1-3,5,7H,4,6H2,(H,18,19)
InChIKeyLCRHVZDPBWDWSX-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.14
Rot. Bonds2

About 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 2775915) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID2775915
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)8-2-1-3-9(5-8)16-6-7(11(18)19)4-10(16)17/h1-3,5,7H,4,6H2,(H,18,19)
InChIKeyLCRHVZDPBWDWSX-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid (CID 2775915) is 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LCRHVZDPBWDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c13-12(14,15)8-2-1-3-9(5-8)16-6-7(11(18)19)4-10(16)17/h1-3,5,7H,4,6H2,(H,18,19).
What are the key properties of 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 273.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2775915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).