3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid

C10H16FNO3 — CID 115731692

IUPAC3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid
SMILESCCCCC(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H16FNO3/c1-2-3-4-8(13)12-6-5-10(11,7-12)9(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyXBLYAGBCTKOGRZ-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.20
Rot. Bonds4

About 3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid

3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid (PubChem CID 115731692) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is 3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid
PubChem CID115731692
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid
SMILESCCCCC(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H16FNO3/c1-2-3-4-8(13)12-6-5-10(11,7-12)9(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyXBLYAGBCTKOGRZ-UHFFFAOYSA-N
XLogP1.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-1-pentanoylpyrrolidine-3-carboxylic 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 3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid (CID 115731692) is 3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid is CCCCC(=O)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid?
The InChIKey is XBLYAGBCTKOGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-2-3-4-8(13)12-6-5-10(11,7-12)9(14)15/h2-7H2,1H3,(H,14,15).
What are the key properties of 3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid?
3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid has a molecular weight of 217.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-pentanoylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115731692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).