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

C13H14F3NO2 — CID 134162476

IUPAC1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)C(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H14F3NO2/c1-17-6-10(11(7-17)12(18)19)8-2-4-9(5-3-8)13(14,15)16/h2-5,10-11H,6-7H2,1H3,(H,18,19)
InChIKeyKGFALSILOFQWFM-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.44
Rot. Bonds2

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

1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 134162476) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID134162476
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)C(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H14F3NO2/c1-17-6-10(11(7-17)12(18)19)8-2-4-9(5-3-8)13(14,15)16/h2-5,10-11H,6-7H2,1H3,(H,18,19)
InChIKeyKGFALSILOFQWFM-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-[4-(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

(3S,4R)-1-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124669579
(3S,4R)-4-(4-aminophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99986899
4-(3,4-difluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 134162457
2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 81007862
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
(3R,4S)-1-phenylmethoxycarbonyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 171363974
methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 159697418
(3S,4R)-4-(3,4-dimethoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124858013
methyl 1-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate
CID 134162390
(3R,4R)-4-(3-chlorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962566
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
(3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124675442

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid (CID 134162476) is 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid is CN1CC(C(=O)O)C(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is KGFALSILOFQWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-17-6-10(11(7-17)12(18)19)8-2-4-9(5-3-8)13(14,15)16/h2-5,10-11H,6-7H2,1H3,(H,18,19).
What are the key properties of 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 134162476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).