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

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Related Compounds

N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 95627572
methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate
CID 139000528
2-(2-methoxyethylamino)-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide
CID 119787510
sodium 6-oxo-6-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]hexanoate
CID 139001995
5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride
CID 120633308
(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120793465
1-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethyl]cyclobutane-1-carboxylic acid
CID 167917563
1-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)urea
CID 167874097
sodium 5-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]carbamoyl]oxolane-2-carboxylate
CID 139010568
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea
CID 146088616
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 19710959
6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 102557214

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).