3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide

C13H23F3N2O2 — CID 72887562

IUPAC3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide
SMILESCOCCN1C[C@H](NC(=O)CC(F)(F)F)[C@@H](C(C)C)C1
InChIInChI=1S/C13H23F3N2O2/c1-9(2)10-7-18(4-5-20-3)8-11(10)17-12(19)6-13(14,15)16/h9-11H,4-8H2,1-3H3,(H,17,19)/t10-,11+/m1/s1
InChIKeyOSVJTXNHKPTYCQ-MNOVXSKESA-N
MW296.33 g/mol
LogP1.66
Rot. Bonds6

About 3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide

3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide (PubChem CID 72887562) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide
PubChem CID72887562
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide
SMILESCOCCN1C[C@H](NC(=O)CC(F)(F)F)[C@@H](C(C)C)C1
InChIInChI=1S/C13H23F3N2O2/c1-9(2)10-7-18(4-5-20-3)8-11(10)17-12(19)6-13(14,15)16/h9-11H,4-8H2,1-3H3,(H,17,19)/t10-,11+/m1/s1
InChIKeyOSVJTXNHKPTYCQ-MNOVXSKESA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide 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 3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide (CID 72887562) is 3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide is COCCN1C[C@H](NC(=O)CC(F)(F)F)[C@@H](C(C)C)C1.
What is the InChIKey of 3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide?
The InChIKey is OSVJTXNHKPTYCQ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-9(2)10-7-18(4-5-20-3)8-11(10)17-12(19)6-13(14,15)16/h9-11H,4-8H2,1-3H3,(H,17,19)/t10-,11+/m1/s1.
What are the key properties of 3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide?
3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide has a molecular weight of 296.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(3R,4S)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 72887562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).