[(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate

C10H15NO4 — CID 71521829

IUPAC[(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate
SMILESCC(=O)O[C@H]1OC(=O)C[C@@H]1N1CCCC1
InChIInChI=1S/C10H15NO4/c1-7(12)14-10-8(6-9(13)15-10)11-4-2-3-5-11/h8,10H,2-6H2,1H3/t8-,10-/m0/s1
InChIKeyIDTMAISBXMULLC-WPRPVWTQSA-N
MW213.23 g/mol
LogP0.29
Rot. Bonds2

About [(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate

[(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate (PubChem CID 71521829) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is [(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate
PubChem CID71521829
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name[(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate
SMILESCC(=O)O[C@H]1OC(=O)C[C@@H]1N1CCCC1
InChIInChI=1S/C10H15NO4/c1-7(12)14-10-8(6-9(13)15-10)11-4-2-3-5-11/h8,10H,2-6H2,1H3/t8-,10-/m0/s1
InChIKeyIDTMAISBXMULLC-WPRPVWTQSA-N
XLogP0.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate?
The IUPAC name of [(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate (CID 71521829) is [(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate?
The canonical SMILES for [(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate is CC(=O)O[C@H]1OC(=O)C[C@@H]1N1CCCC1.
What is the InChIKey of [(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate?
The InChIKey is IDTMAISBXMULLC-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H15NO4/c1-7(12)14-10-8(6-9(13)15-10)11-4-2-3-5-11/h8,10H,2-6H2,1H3/t8-,10-/m0/s1.
What are the key properties of [(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate?
[(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate has a molecular weight of 213.23 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-5-oxo-3-pyrrolidin-1-yloxolan-2-yl] acetate is sourced from PubChem (CID 71521829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).