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

C13H23NO4 — CID 117170145

IUPAC3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid
SMILESO=C(O)CCC1COC(CCN2CCCCC2)O1
InChIInChI=1S/C13H23NO4/c15-12(16)5-4-11-10-17-13(18-11)6-9-14-7-2-1-3-8-14/h11,13H,1-10H2,(H,15,16)
InChIKeyDOMSFGDHWSHEQT-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.47
Rot. Bonds6

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

3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 117170145) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid
PubChem CID117170145
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid
SMILESO=C(O)CCC1COC(CCN2CCCCC2)O1
InChIInChI=1S/C13H23NO4/c15-12(16)5-4-11-10-17-13(18-11)6-9-14-7-2-1-3-8-14/h11,13H,1-10H2,(H,15,16)
InChIKeyDOMSFGDHWSHEQT-UHFFFAOYSA-N
XLogP1.47
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid
CID 117170146
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine
CID 117170111
hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938
3-[2-[(3-hydroxyphenyl)methyl]-1,3-dioxolan-4-yl]propanoic acid
CID 117169531
1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine
CID 141349469
3-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dioxolan-4-yl]propanoic acid
CID 117169611
3-[2-(thiolan-2-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168902
3-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168419
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678
3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
CID 114191537
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
5-[(2S)-oxiran-2-yl]pentanoic acid
CID 124512995

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of 3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid (CID 117170145) is 3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid is O=C(O)CCC1COC(CCN2CCCCC2)O1.
What is the InChIKey of 3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is DOMSFGDHWSHEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c15-12(16)5-4-11-10-17-13(18-11)6-9-14-7-2-1-3-8-14/h11,13H,1-10H2,(H,15,16).
What are the key properties of 3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid?
3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 117170145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).