2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid

C12H21NO4 — CID 117168974

IUPAC2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid
SMILESCCN1CCCCC1C1OCC(CC(=O)O)O1
InChIInChI=1S/C12H21NO4/c1-2-13-6-4-3-5-10(13)12-16-8-9(17-12)7-11(14)15/h9-10,12H,2-8H2,1H3,(H,14,15)
InChIKeyLKVFPENPJVICSF-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.08
Rot. Bonds4

About 2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid

2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid (PubChem CID 117168974) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid
PubChem CID117168974
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid
SMILESCCN1CCCCC1C1OCC(CC(=O)O)O1
InChIInChI=1S/C12H21NO4/c1-2-13-6-4-3-5-10(13)12-16-8-9(17-12)7-11(14)15/h9-10,12H,2-8H2,1H3,(H,14,15)
InChIKeyLKVFPENPJVICSF-UHFFFAOYSA-N
XLogP1.08
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid (CID 117168974) is 2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid is CCN1CCCCC1C1OCC(CC(=O)O)O1.
What is the InChIKey of 2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is LKVFPENPJVICSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-13-6-4-3-5-10(13)12-16-8-9(17-12)7-11(14)15/h9-10,12H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid?
2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 243.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 117168974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).