2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid

C9H13F3N2O4 — CID 69056112

IUPAC2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESCC(C(N)=O)N1CCCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12N2O2.C2HF3O2/c1-5(7(8)11)9-4-2-3-6(9)10;3-2(4,5)1(6)7/h5H,2-4H2,1H3,(H2,8,11);(H,6,7)
InChIKeyLOBKNWQLXURIIJ-UHFFFAOYSA-N
MW270.21 g/mol
LogP0.12
Rot. Bonds2

About 2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid

2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 69056112) has the molecular formula C9H13F3N2O4 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid
PubChem CID69056112
Molecular FormulaC9H13F3N2O4
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESCC(C(N)=O)N1CCCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12N2O2.C2HF3O2/c1-5(7(8)11)9-4-2-3-6(9)10;3-2(4,5)1(6)7/h5H,2-4H2,1H3,(H2,8,11);(H,6,7)
InChIKeyLOBKNWQLXURIIJ-UHFFFAOYSA-N
XLogP0.12
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-Oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide
CID 22387076
1-(azetidin-3-yl)pyrrolidin-2-one; tfa salt
CID 86811379
3-Amino-1-methylpyrrolidine-2,5-dione; trifluoroacetic acid
CID 54595575
N-hydroxy-2-(3-methyl-2-oxopyrrolidin-1-yl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 17920956
N-hydroxy-2-(3-methyl-2-oxopyrrolidin-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 17921037
N-hydroxy-2-(2-oxopyrrolidin-1-yl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 17921178
2-Carbamoyl-4,4-difluoropyrrolidine-1-carboxylic acid
CID 18454670
3-Pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 19000556
2-Oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid
CID 21998604
(3S)-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid
CID 57228268
2-[2,2-difluoropropanoyl-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
CID 59492161
(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carboxylic acid
CID 68414114

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid (CID 69056112) is 2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid is CC(C(N)=O)N1CCCC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is LOBKNWQLXURIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.C2HF3O2/c1-5(7(8)11)9-4-2-3-6(9)10;3-2(4,5)1(6)7/h5H,2-4H2,1H3,(H2,8,11);(H,6,7).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid?
2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 270.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69056112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).