methyl 2-(1H-indol-3-yl)-2-methoxyacetate

C12H13NO3 — CID 13133991

IUPACmethyl 2-(1H-indol-3-yl)-2-methoxyacetate
SMILESCOC(=O)C(OC)c1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO3/c1-15-11(12(14)16-2)9-7-13-10-6-4-3-5-8(9)10/h3-7,11,13H,1-2H3
InChIKeyYQIXXCHIMXEZHG-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.03
Rot. Bonds3

About methyl 2-(1H-indol-3-yl)-2-methoxyacetate

methyl 2-(1H-indol-3-yl)-2-methoxyacetate (PubChem CID 13133991) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-(1H-indol-3-yl)-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-(1H-indol-3-yl)-2-methoxyacetate
PubChem CID13133991
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 2-(1H-indol-3-yl)-2-methoxyacetate
SMILESCOC(=O)C(OC)c1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO3/c1-15-11(12(14)16-2)9-7-13-10-6-4-3-5-8(9)10/h3-7,11,13H,1-2H3
InChIKeyYQIXXCHIMXEZHG-UHFFFAOYSA-N
XLogP2.03
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824
methyl 3-(1H-indol-3-yl)-2-nitrobutanoate
CID 2853837
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
3-[chloro(methoxy)methyl]-1H-indole
CID 67187607
1-O-ethyl 3-O-methyl (2S)-2-[(S)-1H-indol-3-yl(phenyl)methyl]propanedioate
CID 2036724
[hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate
CID 67902992
2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
O-methyl 2-(1H-indol-3-yl)propanethioate
CID 175999824
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indol-3-yl)-2-methoxyacetate?
The IUPAC name of methyl 2-(1H-indol-3-yl)-2-methoxyacetate (CID 13133991) is methyl 2-(1H-indol-3-yl)-2-methoxyacetate.
What is the SMILES notation for methyl 2-(1H-indol-3-yl)-2-methoxyacetate?
The canonical SMILES for methyl 2-(1H-indol-3-yl)-2-methoxyacetate is COC(=O)C(OC)c1c[nH]c2ccccc12.
What is the InChIKey of methyl 2-(1H-indol-3-yl)-2-methoxyacetate?
The InChIKey is YQIXXCHIMXEZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-15-11(12(14)16-2)9-7-13-10-6-4-3-5-8(9)10/h3-7,11,13H,1-2H3.
What are the key properties of methyl 2-(1H-indol-3-yl)-2-methoxyacetate?
methyl 2-(1H-indol-3-yl)-2-methoxyacetate has a molecular weight of 219.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indol-3-yl)-2-methoxyacetate is sourced from PubChem (CID 13133991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).