(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid

C12H12F3NO3 — CID 175135309

IUPAC(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H](Oc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)8-1-3-9(4-2-8)19-10-5-6-16(7-10)11(17)18/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
InChIKeyWVEVJDSOJHSMCI-JTQLQIEISA-N
MW275.23 g/mol
LogP2.84
Rot. Bonds2

About (3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid

(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid (PubChem CID 175135309) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is (3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
PubChem CID175135309
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H](Oc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)8-1-3-9(4-2-8)19-10-5-6-16(7-10)11(17)18/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
InChIKeyWVEVJDSOJHSMCI-JTQLQIEISA-N
XLogP2.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-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

(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
CID 175134415
(3S)-3-[4-(trifluoromethyl)phenyl]sulfonyloxypyrrolidine-1-carboxylic acid
CID 87429333
3-[2-(hydroxymethyl)-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135334
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 68978029
3-fluoro-4-[(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]benzoic acid
CID 156774681
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
cyclopropyl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone
CID 75536872
(2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide
CID 89109679
4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
CID 146380644
[3-(4-methoxyphenoxy)azetidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134791197
lithium;5-chloro-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid;hydride
CID 173378749

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid (CID 175135309) is (3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@H](Oc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid?
The InChIKey is WVEVJDSOJHSMCI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12F3NO3/c13-12(14,15)8-1-3-9(4-2-8)19-10-5-6-16(7-10)11(17)18/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1.
What are the key properties of (3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid?
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175135309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).