tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid

C15H20F3N3O2 — CID 155168237

IUPACtert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(c2ccnc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3N3O2/c1-14(2,3)21(13(22)23)11-5-7-20(9-11)10-4-6-19-12(8-10)15(16,17)18/h4,6,8,11H,5,7,9H2,1-3H3,(H,22,23)
InChIKeyREILTYBBOFHEFM-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.46
Rot. Bonds2

About tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid

tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid (PubChem CID 155168237) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid
PubChem CID155168237
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Nametert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(c2ccnc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3N3O2/c1-14(2,3)21(13(22)23)11-5-7-20(9-11)10-4-6-19-12(8-10)15(16,17)18/h4,6,8,11H,5,7,9H2,1-3H3,(H,22,23)
InChIKeyREILTYBBOFHEFM-UHFFFAOYSA-N
XLogP3.46
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic 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

tert-butyl-[1-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 155168165
[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843
tert-butyl N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 67342449
morpholin-4-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanone
CID 165434721
tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid
CID 121349537
piperidin-1-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methanone
CID 166602700
(2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122051698
tert-butyl N-[3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 129216529
tert-butyl N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 129233094
N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
CID 118054993
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]ethanone
CID 172891519

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid (CID 155168237) is tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid is CC(C)(C)N(C(=O)O)C1CCN(c2ccnc(C(F)(F)F)c2)C1.
What is the InChIKey of tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid?
The InChIKey is REILTYBBOFHEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-14(2,3)21(13(22)23)11-5-7-20(9-11)10-4-6-19-12(8-10)15(16,17)18/h4,6,8,11H,5,7,9H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid?
tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid has a molecular weight of 331.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 155168237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).