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

C12H21NO4 — CID 117168481

IUPAC2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid
SMILESCN1CCC(C2(C)OCC(CC(=O)O)O2)CC1
InChIInChI=1S/C12H21NO4/c1-12(9-3-5-13(2)6-4-9)16-8-10(17-12)7-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyNRUCHXIFOBOEHR-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.93
Rot. Bonds3

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

2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid (PubChem CID 117168481) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid
PubChem CID117168481
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid
SMILESCN1CCC(C2(C)OCC(CC(=O)O)O2)CC1
InChIInChI=1S/C12H21NO4/c1-12(9-3-5-13(2)6-4-9)16-8-10(17-12)7-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyNRUCHXIFOBOEHR-UHFFFAOYSA-N
XLogP0.93
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid (CID 117168481) is 2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid is CN1CCC(C2(C)OCC(CC(=O)O)O2)CC1.
What is the InChIKey of 2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is NRUCHXIFOBOEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(9-3-5-13(2)6-4-9)16-8-10(17-12)7-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid?
2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 243.30 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 117168481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).