2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid

C10H16FNO3 — CID 104511235

IUPAC2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
SMILESCC(C)(C)C1CC(=O)N(C(F)C(=O)O)C1
InChIInChI=1S/C10H16FNO3/c1-10(2,3)6-4-7(13)12(5-6)8(11)9(14)15/h6,8H,4-5H2,1-3H3,(H,14,15)
InChIKeyCOMJVNBEFLDIRT-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.26
Rot. Bonds2

About 2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid

2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid (PubChem CID 104511235) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
PubChem CID104511235
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
SMILESCC(C)(C)C1CC(=O)N(C(F)C(=O)O)C1
InChIInChI=1S/C10H16FNO3/c1-10(2,3)6-4-7(13)12(5-6)8(11)9(14)15/h6,8H,4-5H2,1-3H3,(H,14,15)
InChIKeyCOMJVNBEFLDIRT-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butyl-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-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid (CID 104511235) is 2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid is CC(C)(C)C1CC(=O)N(C(F)C(=O)O)C1.
What is the InChIKey of 2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid?
The InChIKey is COMJVNBEFLDIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-10(2,3)6-4-7(13)12(5-6)8(11)9(14)15/h6,8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid?
2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid has a molecular weight of 217.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 104511235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).