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'}

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Related Compounds

2-[4-(2-Fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 70995658
2-[2,2,2-Trifluoroethyl(3,5,5-trimethylhexanoyl)amino]acetic acid
CID 79257728
2-[(2,2,3,3-Tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258138
2-[2,2,2-Trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid
CID 79258386
2-(5-Tert-butyl-2-oxoazepan-1-yl)-2-fluoroacetic acid
CID 81297174
2-(4-Ethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
CID 81297926
2-Fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid
CID 104511139
Ethyl 2-fluoro-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetate
CID 104511166
2-Fluoro-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetic acid
CID 104511190
Ethyl 2-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2-fluoroacetate
CID 104511214
2-(3,4-Dimethyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
CID 130986137
2-(4-Cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
CID 164652774

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).