3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid

C13H14FNO5 — CID 122512313

IUPAC3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid
SMILESO=C(O)c1ccc(F)cc1OC1CCCN(C(=O)O)C1
InChIInChI=1S/C13H14FNO5/c14-8-3-4-10(12(16)17)11(6-8)20-9-2-1-5-15(7-9)13(18)19/h3-4,6,9H,1-2,5,7H2,(H,16,17)(H,18,19)
InChIKeyPTCHWEQSKNNQAN-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.05
Rot. Bonds3

About 3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid

3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid (PubChem CID 122512313) has the molecular formula C13H14FNO5 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid
PubChem CID122512313
Molecular FormulaC13H14FNO5
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid
SMILESO=C(O)c1ccc(F)cc1OC1CCCN(C(=O)O)C1
InChIInChI=1S/C13H14FNO5/c14-8-3-4-10(12(16)17)11(6-8)20-9-2-1-5-15(7-9)13(18)19/h3-4,6,9H,1-2,5,7H2,(H,16,17)(H,18,19)
InChIKeyPTCHWEQSKNNQAN-UHFFFAOYSA-N
XLogP2.05
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid?
The IUPAC name of 3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid (CID 122512313) is 3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid is O=C(O)c1ccc(F)cc1OC1CCCN(C(=O)O)C1.
What is the InChIKey of 3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid?
The InChIKey is PTCHWEQSKNNQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5/c14-8-3-4-10(12(16)17)11(6-8)20-9-2-1-5-15(7-9)13(18)19/h3-4,6,9H,1-2,5,7H2,(H,16,17)(H,18,19).
What are the key properties of 3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid?
3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 122512313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).