(3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide

C11H18F3N3O2 — CID 97023650

IUPAC(3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)NCC(=O)N(C)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3N3O2/c1-8-3-4-17(6-8)10(19)15-5-9(18)16(2)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)/t8-/m1/s1
InChIKeyQTVJELPWDZOUBN-MRVPVSSYSA-N
MW281.28 g/mol
LogP1.06
Rot. Bonds3

About (3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide

(3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide (PubChem CID 97023650) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is (3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
PubChem CID97023650
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name(3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)NCC(=O)N(C)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3N3O2/c1-8-3-4-17(6-8)10(19)15-5-9(18)16(2)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)/t8-/m1/s1
InChIKeyQTVJELPWDZOUBN-MRVPVSSYSA-N
XLogP1.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 71868032
3-methyl-N-(2-methylprop-2-enyl)pyrrolidine-1-carboxamide
CID 127013208
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 102554798
(2S)-2-ethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]azepane-1-carboxamide
CID 95967262
N-methyl-2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111501528
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111464973
2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109485259
2-(4-aminopiperidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79328008
(3S,4S)-1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114133908
2-(2,6-dimethylmorpholin-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 87012335
3-methyl-N-(2,2,4-trimethyl-4-sulfanylpentyl)pyrrolidine-1-carboxamide
CID 155742876
3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115663003

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide (CID 97023650) is (3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide is C[C@@H]1CCN(C(=O)NCC(=O)N(C)CC(F)(F)F)C1.
What is the InChIKey of (3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide?
The InChIKey is QTVJELPWDZOUBN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-8-3-4-17(6-8)10(19)15-5-9(18)16(2)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)/t8-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide?
(3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97023650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).