2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid

C13H15NO5 — CID 61328011

IUPAC2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid
SMILESCN1C(=O)Cc2cc(C(O)COCC(=O)O)ccc21
InChIInChI=1S/C13H15NO5/c1-14-10-3-2-8(4-9(10)5-12(14)16)11(15)6-19-7-13(17)18/h2-4,11,15H,5-7H2,1H3,(H,17,18)
InChIKeyDZMNIGXAFMCDNT-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.34
Rot. Bonds5

About 2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid

2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid (PubChem CID 61328011) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid
PubChem CID61328011
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid
SMILESCN1C(=O)Cc2cc(C(O)COCC(=O)O)ccc21
InChIInChI=1S/C13H15NO5/c1-14-10-3-2-8(4-9(10)5-12(14)16)11(15)6-19-7-13(17)18/h2-4,11,15H,5-7H2,1H3,(H,17,18)
InChIKeyDZMNIGXAFMCDNT-UHFFFAOYSA-N
XLogP0.34
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid (CID 61328011) is 2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid is CN1C(=O)Cc2cc(C(O)COCC(=O)O)ccc21.
What is the InChIKey of 2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid?
The InChIKey is DZMNIGXAFMCDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-14-10-3-2-8(4-9(10)5-12(14)16)11(15)6-19-7-13(17)18/h2-4,11,15H,5-7H2,1H3,(H,17,18).
What are the key properties of 2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid?
2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid has a molecular weight of 265.26 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid is sourced from PubChem (CID 61328011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).