2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid

C14H14F3NO3 — CID 46947927

IUPAC2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c1-13(12(20)21)6-3-7-18(13)11(19)9-4-2-5-10(8-9)14(15,16)17/h2,4-5,8H,3,6-7H2,1H3,(H,20,21)
InChIKeyINCFJSNXVDVBMC-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.78
Rot. Bonds2

About 2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid

2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 46947927) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid
PubChem CID46947927
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c1-13(12(20)21)6-3-7-18(13)11(19)9-4-2-5-10(8-9)14(15,16)17/h2,4-5,8H,3,6-7H2,1H3,(H,20,21)
InChIKeyINCFJSNXVDVBMC-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic 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-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid (CID 46947927) is 2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is INCFJSNXVDVBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-13(12(20)21)6-3-7-18(13)11(19)9-4-2-5-10(8-9)14(15,16)17/h2,4-5,8H,3,6-7H2,1H3,(H,20,21).
What are the key properties of 2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid?
2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 301.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 46947927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).