3-(1-prop-2-enylpiperidin-2-yl)propanoic acid

C11H19NO2 — CID 62218035

IUPAC3-(1-prop-2-enylpiperidin-2-yl)propanoic acid
SMILESC=CCN1CCCCC1CCC(=O)O
InChIInChI=1S/C11H19NO2/c1-2-8-12-9-4-3-5-10(12)6-7-11(13)14/h2,10H,1,3-9H2,(H,13,14)
InChIKeySPXBONGQZSWREK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.89
Rot. Bonds5

About 3-(1-prop-2-enylpiperidin-2-yl)propanoic acid

3-(1-prop-2-enylpiperidin-2-yl)propanoic acid (PubChem CID 62218035) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(1-prop-2-enylpiperidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-prop-2-enylpiperidin-2-yl)propanoic acid
PubChem CID62218035
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(1-prop-2-enylpiperidin-2-yl)propanoic acid
SMILESC=CCN1CCCCC1CCC(=O)O
InChIInChI=1S/C11H19NO2/c1-2-8-12-9-4-3-5-10(12)6-7-11(13)14/h2,10H,1,3-9H2,(H,13,14)
InChIKeySPXBONGQZSWREK-UHFFFAOYSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-prop-2-enylpiperidin-2-yl)propanoic acid?
The IUPAC name of 3-(1-prop-2-enylpiperidin-2-yl)propanoic acid (CID 62218035) is 3-(1-prop-2-enylpiperidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-prop-2-enylpiperidin-2-yl)propanoic acid?
The canonical SMILES for 3-(1-prop-2-enylpiperidin-2-yl)propanoic acid is C=CCN1CCCCC1CCC(=O)O.
What is the InChIKey of 3-(1-prop-2-enylpiperidin-2-yl)propanoic acid?
The InChIKey is SPXBONGQZSWREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-8-12-9-4-3-5-10(12)6-7-11(13)14/h2,10H,1,3-9H2,(H,13,14).
What are the key properties of 3-(1-prop-2-enylpiperidin-2-yl)propanoic acid?
3-(1-prop-2-enylpiperidin-2-yl)propanoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-prop-2-enylpiperidin-2-yl)propanoic acid is sourced from PubChem (CID 62218035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).