[(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate

C14H15NO5 — CID 8608213

IUPAC[(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)O[C@@H]2CCOC2=O)cc1
InChIInChI=1S/C14H15NO5/c1-9(16)15-11-4-2-10(3-5-11)8-13(17)20-12-6-7-19-14(12)18/h2-5,12H,6-8H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyGPCOCAGHDYIHAR-GFCCVEGCSA-N
MW277.28 g/mol
LogP1.05
Rot. Bonds4

About [(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate

[(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate (PubChem CID 8608213) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate
PubChem CID8608213
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)O[C@@H]2CCOC2=O)cc1
InChIInChI=1S/C14H15NO5/c1-9(16)15-11-4-2-10(3-5-11)8-13(17)20-12-6-7-19-14(12)18/h2-5,12H,6-8H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyGPCOCAGHDYIHAR-GFCCVEGCSA-N
XLogP1.05
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate (CID 8608213) is [(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)O[C@@H]2CCOC2=O)cc1.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate?
The InChIKey is GPCOCAGHDYIHAR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15NO5/c1-9(16)15-11-4-2-10(3-5-11)8-13(17)20-12-6-7-19-14(12)18/h2-5,12H,6-8H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate?
[(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate has a molecular weight of 277.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8608213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).