3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide

C8H13F3N2O2 — CID 43594043

IUPAC3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide
SMILESCO[C@H]1CNCC1NC(=O)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-15-6-4-12-3-5(6)13-7(14)2-8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14)/t5?,6-/m0/s1
InChIKeyXDEAJGRXWKZOQL-GDVGLLTNSA-N
MW226.20 g/mol
LogP0.04
Rot. Bonds3

About 3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide

3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide (PubChem CID 43594043) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide
PubChem CID43594043
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide
SMILESCO[C@H]1CNCC1NC(=O)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-15-6-4-12-3-5(6)13-7(14)2-8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14)/t5?,6-/m0/s1
InChIKeyXDEAJGRXWKZOQL-GDVGLLTNSA-N
XLogP0.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxypyrrolidin-3-yl)-2,2,2-trifluoroacetamide
CID 140112890
2-[[2-[3-(Trifluoromethoxy)pyrrolidin-1-yl]acetyl]amino]propanamide
CID 176272224
(2R)-2-amino-1-[(2S,4R)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one
CID 178126583
(2R)-2-amino-1-[(2S,4R)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 178126610
(2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 178127033
(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one
CID 178127656
(2R)-2-amino-1-[(2S,4S)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one
CID 178127724
2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane
CID 178127734
3,3,3-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpropanamide
CID 43595857
N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 47035768
1-Pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one
CID 60734370
2,2,2-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 63105556

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide (CID 43594043) is 3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide is CO[C@H]1CNCC1NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide?
The InChIKey is XDEAJGRXWKZOQL-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-15-6-4-12-3-5(6)13-7(14)2-8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14)/t5?,6-/m0/s1.
What are the key properties of 3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide?
3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide has a molecular weight of 226.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide is sourced from PubChem (CID 43594043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).