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

C11H19NO4 — CID 117168905

IUPAC3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid
SMILESCN1CCCC1C1OCC(CCC(=O)O)O1
InChIInChI=1S/C11H19NO4/c1-12-6-2-3-9(12)11-15-7-8(16-11)4-5-10(13)14/h8-9,11H,2-7H2,1H3,(H,13,14)
InChIKeyPKXRIYDMKWCDII-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.69
Rot. Bonds4

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

3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 117168905) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid
PubChem CID117168905
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid
SMILESCN1CCCC1C1OCC(CCC(=O)O)O1
InChIInChI=1S/C11H19NO4/c1-12-6-2-3-9(12)11-15-7-8(16-11)4-5-10(13)14/h8-9,11H,2-7H2,1H3,(H,13,14)
InChIKeyPKXRIYDMKWCDII-UHFFFAOYSA-N
XLogP0.69
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of 3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid (CID 117168905) is 3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid is CN1CCCC1C1OCC(CCC(=O)O)O1.
What is the InChIKey of 3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is PKXRIYDMKWCDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-12-6-2-3-9(12)11-15-7-8(16-11)4-5-10(13)14/h8-9,11H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid?
3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 117168905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).