3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid

C11H19NO4 — CID 117168512

IUPAC3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid
SMILESO=C(O)CCC1COC(C2CCNCC2)O1
InChIInChI=1S/C11H19NO4/c13-10(14)2-1-9-7-15-11(16-9)8-3-5-12-6-4-8/h8-9,11-12H,1-7H2,(H,13,14)
InChIKeyXDTAABIYANFFGW-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.59
Rot. Bonds4

About 3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid

3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid (PubChem CID 117168512) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid
PubChem CID117168512
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid
SMILESO=C(O)CCC1COC(C2CCNCC2)O1
InChIInChI=1S/C11H19NO4/c13-10(14)2-1-9-7-15-11(16-9)8-3-5-12-6-4-8/h8-9,11-12H,1-7H2,(H,13,14)
InChIKeyXDTAABIYANFFGW-UHFFFAOYSA-N
XLogP0.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid?
The IUPAC name of 3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid (CID 117168512) is 3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid?
The canonical SMILES for 3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid is O=C(O)CCC1COC(C2CCNCC2)O1.
What is the InChIKey of 3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid?
The InChIKey is XDTAABIYANFFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c13-10(14)2-1-9-7-15-11(16-9)8-3-5-12-6-4-8/h8-9,11-12H,1-7H2,(H,13,14).
What are the key properties of 3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid?
3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid is sourced from PubChem (CID 117168512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).