2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone

C11H19F3N2O2 — CID 113241013

IUPAC2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCC(C)(C)NCC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-9(2,3)15-6-8(17)16-5-4-10(18,7-16)11(12,13)14/h15,18H,4-7H2,1-3H3
InChIKeyKODJEDZXXNQEDN-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.90
Rot. Bonds2

About 2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone

2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone (PubChem CID 113241013) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
PubChem CID113241013
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCC(C)(C)NCC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-9(2,3)15-6-8(17)16-5-4-10(18,7-16)11(12,13)14/h15,18H,4-7H2,1-3H3
InChIKeyKODJEDZXXNQEDN-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone 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 2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone (CID 113241013) is 2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone is CC(C)(C)NCC(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is KODJEDZXXNQEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-9(2,3)15-6-8(17)16-5-4-10(18,7-16)11(12,13)14/h15,18H,4-7H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 268.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 113241013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).