N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide

C8H12F3N3O2 — CID 54051423

IUPACN-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide
SMILESNC(=O)CN1CCCC1NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)13-6-2-1-3-14(6)4-5(12)15/h6H,1-4H2,(H2,12,15)(H,13,16)
InChIKeyLTCYSURULULSLA-UHFFFAOYSA-N
MW239.20 g/mol
LogP-0.43
Rot. Bonds3

About N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide

N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 54051423) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide
PubChem CID54051423
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide
SMILESNC(=O)CN1CCCC1NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)13-6-2-1-3-14(6)4-5(12)15/h6H,1-4H2,(H2,12,15)(H,13,16)
InChIKeyLTCYSURULULSLA-UHFFFAOYSA-N
XLogP-0.43
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 ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide (CID 54051423) is N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide is NC(=O)CN1CCCC1NC(=O)C(F)(F)F.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is LTCYSURULULSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)13-6-2-1-3-14(6)4-5(12)15/h6H,1-4H2,(H2,12,15)(H,13,16).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide?
N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 239.20 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 54051423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).