[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate

C13H13NO5 — CID 2122814

IUPAC[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1
InChIInChI=1S/C13H13NO5/c1-8(15)14-10-4-2-9(3-5-10)12(16)19-11-6-7-18-13(11)17/h2-5,11H,6-7H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyVYTIMJVZGAHCFK-LLVKDONJSA-N
MW263.25 g/mol
LogP1.12
Rot. Bonds3

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

[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate (PubChem CID 2122814) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate
PubChem CID2122814
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1
InChIInChI=1S/C13H13NO5/c1-8(15)14-10-4-2-9(3-5-10)12(16)19-11-6-7-18-13(11)17/h2-5,11H,6-7H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyVYTIMJVZGAHCFK-LLVKDONJSA-N
XLogP1.12
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.12
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] 4-acetamidobenzoate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate (CID 2122814) is [(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate?
The InChIKey is VYTIMJVZGAHCFK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13NO5/c1-8(15)14-10-4-2-9(3-5-10)12(16)19-11-6-7-18-13(11)17/h2-5,11H,6-7H2,1H3,(H,14,15)/t11-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate?
[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate has a molecular weight of 263.25 g/mol, XLogP of 1.12, 3 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] 4-acetamidobenzoate is sourced from PubChem (CID 2122814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).