(2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid

C15H18F3NO2 — CID 122038316

IUPAC(2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid
SMILESCC(CN1CCC[C@@H]1C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO2/c1-10(9-19-8-2-3-13(19)14(20)21)11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13H,2-3,8-9H2,1H3,(H,20,21)/t10?,13-/m1/s1
InChIKeyZLAOXADIUGSTNQ-JLOHTSLTSA-N
MW301.31 g/mol
LogP3.36
Rot. Bonds4

About (2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid (PubChem CID 122038316) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is (2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid
PubChem CID122038316
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name(2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid
SMILESCC(CN1CCC[C@@H]1C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO2/c1-10(9-19-8-2-3-13(19)14(20)21)11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13H,2-3,8-9H2,1H3,(H,20,21)/t10?,13-/m1/s1
InChIKeyZLAOXADIUGSTNQ-JLOHTSLTSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid
CID 122036591
1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid
CID 122035694
1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]piperidine-2-carboxylic acid
CID 57197450
1-[2-[4-(trifluoromethyl)phenyl]propyl]azetidine-3-carboxylic acid
CID 122046781
1-[2-chloro-2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 82214513
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
(2S)-1-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-2-carboxylic acid
CID 122038699
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid
CID 122046240
1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid
CID 3680989
1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
CID 82216732
(2R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 78920281

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid (CID 122038316) is (2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid is CC(CN1CCC[C@@H]1C(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZLAOXADIUGSTNQ-JLOHTSLTSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-10(9-19-8-2-3-13(19)14(20)21)11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13H,2-3,8-9H2,1H3,(H,20,21)/t10?,13-/m1/s1.
What are the key properties of (2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid has a molecular weight of 301.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122038316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).