2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H12F3N3O2 — CID 168700091

IUPAC2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNC1CC(=O)N(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)4-13-6(15)3-14-2-5(12)1-7(14)16/h5H,1-4,12H2,(H,13,15)
InChIKeyCPSKYCXHNOTRLY-UHFFFAOYSA-N
MW239.20 g/mol
LogP-0.78
Rot. Bonds3

About 2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 168700091) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID168700091
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNC1CC(=O)N(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)4-13-6(15)3-14-2-5(12)1-7(14)16/h5H,1-4,12H2,(H,13,15)
InChIKeyCPSKYCXHNOTRLY-UHFFFAOYSA-N
XLogP-0.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 168504856
2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 112594276
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)acetate
CID 53396184
2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80725645
2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103195676
5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 62874671
2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492407
2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid
CID 168660146
tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate
CID 168699074
N-(2-hydroxyethyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63100713
5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168700114
6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
CID 61492572

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 168700091) is 2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is NC1CC(=O)N(CC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CPSKYCXHNOTRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c9-8(10,11)4-13-6(15)3-14-2-5(12)1-7(14)16/h5H,1-4,12H2,(H,13,15).
What are the key properties of 2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 239.20 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 168700091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).