N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C9H12F3N3O4 — CID 112551041

IUPACN-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)CONC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C9H12F3N3O4/c10-9(11,12)4-15-2-5(1-7(15)17)8(18)14-19-3-6(13)16/h5H,1-4H2,(H2,13,16)(H,14,18)
InChIKeyQCINQLLGKNCKLR-UHFFFAOYSA-N
MW283.21 g/mol
LogP-1.07
Rot. Bonds5

About N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 112551041) has the molecular formula C9H12F3N3O4 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID112551041
Molecular FormulaC9H12F3N3O4
Molecular Weight283.21 g/mol
Exact Mass283.08
IUPAC NameN-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)CONC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C9H12F3N3O4/c10-9(11,12)4-15-2-5(1-7(15)17)8(18)14-19-3-6(13)16/h5H,1-4H2,(H2,13,16)(H,14,18)
InChIKeyQCINQLLGKNCKLR-UHFFFAOYSA-N
XLogP-1.07
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 112551041) is N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is NC(=O)CONC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is QCINQLLGKNCKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O4/c10-9(11,12)4-15-2-5(1-7(15)17)8(18)14-19-3-6(13)16/h5H,1-4H2,(H2,13,16)(H,14,18).
What are the key properties of N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 283.21 g/mol, XLogP of -1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 112551041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).