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

C13H14F3NO2 — CID 79371880

IUPAC2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-8-9(12(18)19)6-7-17(8)11-5-3-2-4-10(11)13(14,15)16/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyXJFNTNNXAQKDDN-UHFFFAOYSA-N
MW273.25 g/mol
LogP3.00
Rot. Bonds2

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

2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 79371880) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID79371880
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-8-9(12(18)19)6-7-17(8)11-5-3-2-4-10(11)13(14,15)16/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyXJFNTNNXAQKDDN-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-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

Related Compounds

1-(2-carbamoylphenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369504
2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 79372086
(3aS,6aS)-1-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 55062767
methyl 1-[2-(trifluoromethyl)phenyl]aziridine-2-carboxylate
CID 117009928
2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366630
1-(2-cyano-3-methylsulfanylphenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 113385438
N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315016
(3R,5R)-3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 94502238
(3S,4S)-3-hydroxy-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 135116728
(2R,3S)-1-(4-chlorophenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96591785
2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
CID 79369724
3-amino-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 107325295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid (CID 79371880) is 2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XJFNTNNXAQKDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-8-9(12(18)19)6-7-17(8)11-5-3-2-4-10(11)13(14,15)16/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79371880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).