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

C11H17NO4 — CID 69422544

IUPAC2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid
SMILESO=C(O)C(=O)C(C1CCOC1)N1CCCC1
InChIInChI=1S/C11H17NO4/c13-10(11(14)15)9(8-3-6-16-7-8)12-4-1-2-5-12/h8-9H,1-7H2,(H,14,15)
InChIKeyMIGUQTYKYRRHKL-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.14
Rot. Bonds4

About 2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid

2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid (PubChem CID 69422544) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid
PubChem CID69422544
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid
SMILESO=C(O)C(=O)C(C1CCOC1)N1CCCC1
InChIInChI=1S/C11H17NO4/c13-10(11(14)15)9(8-3-6-16-7-8)12-4-1-2-5-12/h8-9H,1-7H2,(H,14,15)
InChIKeyMIGUQTYKYRRHKL-UHFFFAOYSA-N
XLogP0.14
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid (CID 69422544) is 2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid is O=C(O)C(=O)C(C1CCOC1)N1CCCC1.
What is the InChIKey of 2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid?
The InChIKey is MIGUQTYKYRRHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-10(11(14)15)9(8-3-6-16-7-8)12-4-1-2-5-12/h8-9H,1-7H2,(H,14,15).
What are the key properties of 2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid?
2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid has a molecular weight of 227.26 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 69422544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).