3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid

C11H19NO3 — CID 64528146

IUPAC3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid
SMILESO=C(O)CC(C1CCOC1)N1CCCC1
InChIInChI=1S/C11H19NO3/c13-11(14)7-10(9-3-6-15-8-9)12-4-1-2-5-12/h9-10H,1-8H2,(H,13,14)
InChIKeyYQJUBAGFLVXSNE-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds4

About 3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid

3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid (PubChem CID 64528146) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid
PubChem CID64528146
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid
SMILESO=C(O)CC(C1CCOC1)N1CCCC1
InChIInChI=1S/C11H19NO3/c13-11(14)7-10(9-3-6-15-8-9)12-4-1-2-5-12/h9-10H,1-8H2,(H,13,14)
InChIKeyYQJUBAGFLVXSNE-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid (CID 64528146) is 3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid is O=C(O)CC(C1CCOC1)N1CCCC1.
What is the InChIKey of 3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid?
The InChIKey is YQJUBAGFLVXSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(14)7-10(9-3-6-15-8-9)12-4-1-2-5-12/h9-10H,1-8H2,(H,13,14).
What are the key properties of 3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid?
3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 64528146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).