2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid

C9H14FNO3 — CID 104511139

IUPAC2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid
SMILESCCCC1CC(=O)N(C(F)C(=O)O)C1
InChIInChI=1S/C9H14FNO3/c1-2-3-6-4-7(12)11(5-6)8(10)9(13)14/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyXYBWWINJXDCESI-UHFFFAOYSA-N
MW203.21 g/mol
LogP1.02
Rot. Bonds4

About 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid

2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid (PubChem CID 104511139) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid
PubChem CID104511139
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Name2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid
SMILESCCCC1CC(=O)N(C(F)C(=O)O)C1
InChIInChI=1S/C9H14FNO3/c1-2-3-6-4-7(12)11(5-6)8(10)9(13)14/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyXYBWWINJXDCESI-UHFFFAOYSA-N
XLogP1.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid (CID 104511139) is 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid is CCCC1CC(=O)N(C(F)C(=O)O)C1.
What is the InChIKey of 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid?
The InChIKey is XYBWWINJXDCESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3/c1-2-3-6-4-7(12)11(5-6)8(10)9(13)14/h6,8H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid?
2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid has a molecular weight of 203.21 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 104511139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).