methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate

C12H13NO4 — CID 117341826

IUPACmethyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate
SMILESCOC(=O)C(O)c1ccc2c(c1)N(C)C(=O)C2
InChIInChI=1S/C12H13NO4/c1-13-9-5-8(11(15)12(16)17-2)4-3-7(9)6-10(13)14/h3-5,11,15H,6H2,1-2H3
InChIKeyZENKSJQYSXWWSP-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.41
Rot. Bonds2

About methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate

methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate (PubChem CID 117341826) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate
PubChem CID117341826
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Namemethyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate
SMILESCOC(=O)C(O)c1ccc2c(c1)N(C)C(=O)C2
InChIInChI=1S/C12H13NO4/c1-13-9-5-8(11(15)12(16)17-2)4-3-7(9)6-10(13)14/h3-5,11,15H,6H2,1-2H3
InChIKeyZENKSJQYSXWWSP-UHFFFAOYSA-N
XLogP0.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-hydroxyacetate
CID 117481301
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116848766
2-amino-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 116850751
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
ethyl 2-hydroxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetate
CID 117416741
methyl 2-amino-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetate
CID 116856936
1-methyl-6-(methylaminomethyl)-3H-indol-2-one
CID 82603428
methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate
CID 117415412
methyl 2-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-hydroxyacetate
CID 117499401
methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate
CID 117312084

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate (CID 117341826) is methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate is COC(=O)C(O)c1ccc2c(c1)N(C)C(=O)C2.
What is the InChIKey of methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate?
The InChIKey is ZENKSJQYSXWWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-13-9-5-8(11(15)12(16)17-2)4-3-7(9)6-10(13)14/h3-5,11,15H,6H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate?
methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate has a molecular weight of 235.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(1-methyl-2-oxo-3H-indol-6-yl)acetate is sourced from PubChem (CID 117341826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).