(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide

C15H17F3N2O3 — CID 95771540

IUPAC(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOC[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O3/c1-23-8-12(20-14(22)11-5-6-13(21)19-11)9-3-2-4-10(7-9)15(16,17)18/h2-4,7,11-12H,5-6,8H2,1H3,(H,19,21)(H,20,22)/t11-,12-/m1/s1
InChIKeyLXGNZLGQDSPVED-VXGBXAGGSA-N
MW330.31 g/mol
LogP1.79
Rot. Bonds5

About (2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95771540) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95771540
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOC[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O3/c1-23-8-12(20-14(22)11-5-6-13(21)19-11)9-3-2-4-10(7-9)15(16,17)18/h2-4,7,11-12H,5-6,8H2,1H3,(H,19,21)(H,20,22)/t11-,12-/m1/s1
InChIKeyLXGNZLGQDSPVED-VXGBXAGGSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide 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

1-cyclohexyl-3-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-2-ynylurea
CID 95771613
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111455621
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464
N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide
CID 86971896
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 112765279
N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide
CID 124847956
1-(1-benzylpiperidin-4-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86972447
2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide
CID 120993900
3-(4-fluorophenyl)sulfonyl-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 86970872
6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 86970868
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 43709502

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide (CID 95771540) is (2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide is COC[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LXGNZLGQDSPVED-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-23-8-12(20-14(22)11-5-6-13(21)19-11)9-3-2-4-10(7-9)15(16,17)18/h2-4,7,11-12H,5-6,8H2,1H3,(H,19,21)(H,20,22)/t11-,12-/m1/s1.
What are the key properties of (2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95771540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).