3-piperidin-3-ylpropanoic acid

C8H15NO2 — CID 5152304

IUPAC3-piperidin-3-ylpropanoic acid
SMILESO=C(O)CCC1CCCNC1
InChIInChI=1S/C8H15NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h7,9H,1-6H2,(H,10,11)
InChIKeyFCDZOPQSMGHRMK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds3

About 3-piperidin-3-ylpropanoic acid

3-piperidin-3-ylpropanoic acid (PubChem CID 5152304) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-piperidin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-piperidin-3-ylpropanoic acid
PubChem CID5152304
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-piperidin-3-ylpropanoic acid
SMILESO=C(O)CCC1CCCNC1
InChIInChI=1S/C8H15NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h7,9H,1-6H2,(H,10,11)
InChIKeyFCDZOPQSMGHRMK-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-ylpropanoic acid?
The IUPAC name of 3-piperidin-3-ylpropanoic acid (CID 5152304) is 3-piperidin-3-ylpropanoic acid.
What is the SMILES notation for 3-piperidin-3-ylpropanoic acid?
The canonical SMILES for 3-piperidin-3-ylpropanoic acid is O=C(O)CCC1CCCNC1.
What is the InChIKey of 3-piperidin-3-ylpropanoic acid?
The InChIKey is FCDZOPQSMGHRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h7,9H,1-6H2,(H,10,11).
What are the key properties of 3-piperidin-3-ylpropanoic acid?
3-piperidin-3-ylpropanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-ylpropanoic acid is sourced from PubChem (CID 5152304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).