[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate

C12H15NO3S — CID 9390518

IUPAC[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate
SMILESCC(=O)OCC(=O)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C12H15NO3S/c1-9(14)16-8-12(15)13-6-2-4-10(13)11-5-3-7-17-11/h3,5,7,10H,2,4,6,8H2,1H3/t10-/m1/s1
InChIKeyLPIWKUSDEZKCAK-SNVBAGLBSA-N
MW253.32 g/mol
LogP1.97
Rot. Bonds3

About [2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate

[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate (PubChem CID 9390518) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is [2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate
PubChem CID9390518
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate
SMILESCC(=O)OCC(=O)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C12H15NO3S/c1-9(14)16-8-12(15)13-6-2-4-10(13)11-5-3-7-17-11/h3,5,7,10H,2,4,6,8H2,1H3/t10-/m1/s1
InChIKeyLPIWKUSDEZKCAK-SNVBAGLBSA-N
XLogP1.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate?
The IUPAC name of [2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate (CID 9390518) is [2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate.
What is the SMILES notation for [2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate?
The canonical SMILES for [2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate is CC(=O)OCC(=O)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of [2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate?
The InChIKey is LPIWKUSDEZKCAK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-9(14)16-8-12(15)13-6-2-4-10(13)11-5-3-7-17-11/h3,5,7,10H,2,4,6,8H2,1H3/t10-/m1/s1.
What are the key properties of [2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate?
[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate has a molecular weight of 253.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] acetate is sourced from PubChem (CID 9390518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).