[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate

C13H13NO4 — CID 7775914

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H13NO4/c1-17-8-13(16)18-7-12(15)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7-8H2,1H3
InChIKeyNFMGYVACUKTLSI-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.54
Rot. Bonds5

About [2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate

[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate (PubChem CID 7775914) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
PubChem CID7775914
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H13NO4/c1-17-8-13(16)18-7-12(15)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7-8H2,1H3
InChIKeyNFMGYVACUKTLSI-UHFFFAOYSA-N
XLogP1.54
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] 3-methylbut-2-enoate
CID 5137843
[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenylsulfanylacetate
CID 3362624
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 4004655
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694694
[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629
[2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3937877
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
[2-(1H-indol-3-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 2689663
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9264646
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3496931

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate (CID 7775914) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate?
The InChIKey is NFMGYVACUKTLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-8-13(16)18-7-12(15)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7-8H2,1H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate has a molecular weight of 247.25 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 7775914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).