ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate

C12H13NO4 — CID 3277484

IUPACethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate
SMILESCCOC(=O)C(O)C1C(=O)Nc2ccccc21
InChIInChI=1S/C12H13NO4/c1-2-17-12(16)10(14)9-7-5-3-4-6-8(7)13-11(9)15/h3-6,9-10,14H,2H2,1H3,(H,13,15)
InChIKeyCGZFUPWIQMCFND-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.65
Rot. Bonds3

About ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate

ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate (PubChem CID 3277484) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate
PubChem CID3277484
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Nameethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate
SMILESCCOC(=O)C(O)C1C(=O)Nc2ccccc21
InChIInChI=1S/C12H13NO4/c1-2-17-12(16)10(14)9-7-5-3-4-6-8(7)13-11(9)15/h3-6,9-10,14H,2H2,1H3,(H,13,15)
InChIKeyCGZFUPWIQMCFND-UHFFFAOYSA-N
XLogP0.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate (CID 3277484) is ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate is CCOC(=O)C(O)C1C(=O)Nc2ccccc21.
What is the InChIKey of ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate?
The InChIKey is CGZFUPWIQMCFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-2-17-12(16)10(14)9-7-5-3-4-6-8(7)13-11(9)15/h3-6,9-10,14H,2H2,1H3,(H,13,15).
What are the key properties of ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate?
ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate has a molecular weight of 235.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate is sourced from PubChem (CID 3277484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).