N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

C13H23ClF3N3O2 — CID 119588212

IUPACN-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CC(=O)N(CC(F)(F)F)C1.Cl
InChIInChI=1S/C13H22F3N3O2.ClH/c1-8(2)3-10(5-17)18-12(21)9-4-11(20)19(6-9)7-13(14,15)16;/h8-10H,3-7,17H2,1-2H3,(H,18,21);1H
InChIKeyOZXFJKSTFWGYNY-UHFFFAOYSA-N
MW345.79 g/mol
LogP1.31
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119588212) has the molecular formula C13H23ClF3N3O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119588212
Molecular FormulaC13H23ClF3N3O2
Molecular Weight345.79 g/mol
Exact Mass345.14
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CC(=O)N(CC(F)(F)F)C1.Cl
InChIInChI=1S/C13H22F3N3O2.ClH/c1-8(2)3-10(5-17)18-12(21)9-4-11(20)19(6-9)7-13(14,15)16;/h8-10H,3-7,17H2,1-2H3,(H,18,21);1H
InChIKeyOZXFJKSTFWGYNY-UHFFFAOYSA-N
XLogP1.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588613
(3R)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130119
N-[(2R)-1-hydroxybutan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103920300
N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119586792
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119608405
N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119588786
N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119585859
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 107562754
N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 115884600
N-(1-amino-4-methylpentan-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119588084
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120652292
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119585986

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119588212) is N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)C1CC(=O)N(CC(F)(F)F)C1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is OZXFJKSTFWGYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2.ClH/c1-8(2)3-10(5-17)18-12(21)9-4-11(20)19(6-9)7-13(14,15)16;/h8-10H,3-7,17H2,1-2H3,(H,18,21);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 345.79 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119588212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).