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

C11H19NO4 — CID 117168967

IUPAC2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid
SMILESCN1CCCCC1C1OCC(CC(=O)O)O1
InChIInChI=1S/C11H19NO4/c1-12-5-3-2-4-9(12)11-15-7-8(16-11)6-10(13)14/h8-9,11H,2-7H2,1H3,(H,13,14)
InChIKeyYXVNLQMWXDWRCQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.69
Rot. Bonds3

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

2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid (PubChem CID 117168967) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid
PubChem CID117168967
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid
SMILESCN1CCCCC1C1OCC(CC(=O)O)O1
InChIInChI=1S/C11H19NO4/c1-12-5-3-2-4-9(12)11-15-7-8(16-11)6-10(13)14/h8-9,11H,2-7H2,1H3,(H,13,14)
InChIKeyYXVNLQMWXDWRCQ-UHFFFAOYSA-N
XLogP0.69
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid (CID 117168967) is 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid is CN1CCCCC1C1OCC(CC(=O)O)O1.
What is the InChIKey of 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is YXVNLQMWXDWRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-12-5-3-2-4-9(12)11-15-7-8(16-11)6-10(13)14/h8-9,11H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid?
2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 117168967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).