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

C16H24FN3O4 — CID 119259637

IUPAC3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C16H24FN3O4/c17-16(14(22)23)5-9-20(11-16)13(21)12-4-3-8-19(10-12)15(24)18-6-1-2-7-18/h12H,1-11H2,(H,22,23)
InChIKeyVYIKNEJJNKKOAX-UHFFFAOYSA-N
MW341.38 g/mol
LogP0.94
Rot. Bonds2

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

3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119259637) has the molecular formula C16H24FN3O4 and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119259637
Molecular FormulaC16H24FN3O4
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC Name3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C16H24FN3O4/c17-16(14(22)23)5-9-20(11-16)13(21)12-4-3-8-19(10-12)15(24)18-6-1-2-7-18/h12H,1-11H2,(H,22,23)
InChIKeyVYIKNEJJNKKOAX-UHFFFAOYSA-N
XLogP0.94
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 119259637) is 3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid is O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VYIKNEJJNKKOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O4/c17-16(14(22)23)5-9-20(11-16)13(21)12-4-3-8-19(10-12)15(24)18-6-1-2-7-18/h12H,1-11H2,(H,22,23).
What are the key properties of 3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 341.38 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).