methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate

C11H11NO4 — CID 14033762

IUPACmethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate
SMILESCOC(=O)CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C11H11NO4/c1-16-9(13)6-11(15)7-4-2-3-5-8(7)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14)
InChIKeyBHWUWPHGCCRYBU-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.39
Rot. Bonds2

About methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate

methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate (PubChem CID 14033762) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate
PubChem CID14033762
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Namemethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate
SMILESCOC(=O)CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C11H11NO4/c1-16-9(13)6-11(15)7-4-2-3-5-8(7)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14)
InChIKeyBHWUWPHGCCRYBU-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate (CID 14033762) is methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate is COC(=O)CC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate?
The InChIKey is BHWUWPHGCCRYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-16-9(13)6-11(15)7-4-2-3-5-8(7)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14).
What are the key properties of methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate?
methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate has a molecular weight of 221.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate is sourced from PubChem (CID 14033762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).