3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid

C16H25FN2O4 — CID 119259457

IUPAC3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCC(F)(C(=O)O)C2)C1
InChIInChI=1S/C16H25FN2O4/c1-3-11(2)13(20)18-7-4-5-12(9-18)14(21)19-8-6-16(17,10-19)15(22)23/h11-12H,3-10H2,1-2H3,(H,22,23)
InChIKeyQWPNSYFLVUUESX-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.30
Rot. Bonds4

About 3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid

3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119259457) has the molecular formula C16H25FN2O4 and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119259457
Molecular FormulaC16H25FN2O4
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCC(F)(C(=O)O)C2)C1
InChIInChI=1S/C16H25FN2O4/c1-3-11(2)13(20)18-7-4-5-12(9-18)14(21)19-8-6-16(17,10-19)15(22)23/h11-12H,3-10H2,1-2H3,(H,22,23)
InChIKeyQWPNSYFLVUUESX-UHFFFAOYSA-N
XLogP1.30
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-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-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 119259457) is 3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid is CCC(C)C(=O)N1CCCC(C(=O)N2CCC(F)(C(=O)O)C2)C1.
What is the InChIKey of 3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QWPNSYFLVUUESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O4/c1-3-11(2)13(20)18-7-4-5-12(9-18)14(21)19-8-6-16(17,10-19)15(22)23/h11-12H,3-10H2,1-2H3,(H,22,23).
What are the key properties of 3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 328.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).