2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid

C8H12FNO3 — CID 81297926

IUPAC2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
SMILESCCC1CC(=O)N(C(F)C(=O)O)C1
InChIInChI=1S/C8H12FNO3/c1-2-5-3-6(11)10(4-5)7(9)8(12)13/h5,7H,2-4H2,1H3,(H,12,13)
InChIKeyZBTSWDGIYNAEKR-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.63
Rot. Bonds3

About 2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid

2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid (PubChem CID 81297926) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
PubChem CID81297926
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
SMILESCCC1CC(=O)N(C(F)C(=O)O)C1
InChIInChI=1S/C8H12FNO3/c1-2-5-3-6(11)10(4-5)7(9)8(12)13/h5,7H,2-4H2,1H3,(H,12,13)
InChIKeyZBTSWDGIYNAEKR-UHFFFAOYSA-N
XLogP0.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid (CID 81297926) is 2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid is CCC1CC(=O)N(C(F)C(=O)O)C1.
What is the InChIKey of 2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid?
The InChIKey is ZBTSWDGIYNAEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-2-5-3-6(11)10(4-5)7(9)8(12)13/h5,7H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid?
2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid has a molecular weight of 189.19 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81297926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).