2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide

C17H22F3N3O3 — CID 119787502

IUPAC2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide
SMILESCCC(C)C(N)C(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C17H22F3N3O3/c1-3-10(2)14(21)15(24)22-13-7-8-23(16(13)25)11-5-4-6-12(9-11)26-17(18,19)20/h4-6,9-10,13-14H,3,7-8,21H2,1-2H3,(H,22,24)
InChIKeyMCJPSHAEFHPBKB-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.18
Rot. Bonds6

About 2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide

2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide (PubChem CID 119787502) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide
PubChem CID119787502
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide
SMILESCCC(C)C(N)C(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C17H22F3N3O3/c1-3-10(2)14(21)15(24)22-13-7-8-23(16(13)25)11-5-4-6-12(9-11)26-17(18,19)20/h4-6,9-10,13-14H,3,7-8,21H2,1-2H3,(H,22,24)
InChIKeyMCJPSHAEFHPBKB-UHFFFAOYSA-N
XLogP2.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide 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-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide (CID 119787502) is 2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide is CCC(C)C(N)C(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O.
What is the InChIKey of 2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide?
The InChIKey is MCJPSHAEFHPBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-3-10(2)14(21)15(24)22-13-7-8-23(16(13)25)11-5-4-6-12(9-11)26-17(18,19)20/h4-6,9-10,13-14H,3,7-8,21H2,1-2H3,(H,22,24).
What are the key properties of 2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide?
2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide has a molecular weight of 373.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide is sourced from PubChem (CID 119787502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).