5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid

C13H12F3NO3 — CID 2739201

IUPAC5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)10-3-1-8(2-4-10)6-17-7-9(12(19)20)5-11(17)18/h1-4,9H,5-7H2,(H,19,20)
InChIKeyMNYHTPPMXLOVSD-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.14
Rot. Bonds3

About 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 2739201) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID2739201
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)10-3-1-8(2-4-10)6-17-7-9(12(19)20)5-11(17)18/h1-4,9H,5-7H2,(H,19,20)
InChIKeyMNYHTPPMXLOVSD-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid (CID 2739201) is 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MNYHTPPMXLOVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c14-13(15,16)10-3-1-8(2-4-10)6-17-7-9(12(19)20)5-11(17)18/h1-4,9H,5-7H2,(H,19,20).
What are the key properties of 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 287.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2739201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).