5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid

C14H17F3N2O2 — CID 117117074

IUPAC5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCN(C)c1ccc(C(F)(F)F)c(C2CC(C(=O)O)CN2)c1
InChIInChI=1S/C14H17F3N2O2/c1-19(2)9-3-4-11(14(15,16)17)10(6-9)12-5-8(7-18-12)13(20)21/h3-4,6,8,12,18H,5,7H2,1-2H3,(H,20,21)
InChIKeyABWVYUYWDIDCSW-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.51
Rot. Bonds3

About 5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid

5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 117117074) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID117117074
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCN(C)c1ccc(C(F)(F)F)c(C2CC(C(=O)O)CN2)c1
InChIInChI=1S/C14H17F3N2O2/c1-19(2)9-3-4-11(14(15,16)17)10(6-9)12-5-8(7-18-12)13(20)21/h3-4,6,8,12,18H,5,7H2,1-2H3,(H,20,21)
InChIKeyABWVYUYWDIDCSW-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[5-(dimethylamino)-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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid (CID 117117074) is 5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid is CN(C)c1ccc(C(F)(F)F)c(C2CC(C(=O)O)CN2)c1.
What is the InChIKey of 5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ABWVYUYWDIDCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-19(2)9-3-4-11(14(15,16)17)10(6-9)12-5-8(7-18-12)13(20)21/h3-4,6,8,12,18H,5,7H2,1-2H3,(H,20,21).
What are the key properties of 5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid?
5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 302.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117117074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).