2-(4-methoxy-1-methylindol-3-yl)acetic acid

C12H13NO3 — CID 82278588

IUPAC2-(4-methoxy-1-methylindol-3-yl)acetic acid
SMILESCOc1cccc2c1c(CC(=O)O)cn2C
InChIInChI=1S/C12H13NO3/c1-13-7-8(6-11(14)15)12-9(13)4-3-5-10(12)16-2/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyWEBBAAZQTWJCBV-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.81
Rot. Bonds3

About 2-(4-methoxy-1-methylindol-3-yl)acetic acid

2-(4-methoxy-1-methylindol-3-yl)acetic acid (PubChem CID 82278588) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(4-methoxy-1-methylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-1-methylindol-3-yl)acetic acid
PubChem CID82278588
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(4-methoxy-1-methylindol-3-yl)acetic acid
SMILESCOc1cccc2c1c(CC(=O)O)cn2C
InChIInChI=1S/C12H13NO3/c1-13-7-8(6-11(14)15)12-9(13)4-3-5-10(12)16-2/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyWEBBAAZQTWJCBV-UHFFFAOYSA-N
XLogP1.81
TPSA51.46 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-1-methylindol-3-yl)ethyl-trimethylazanium
CID 156698146
3-(4-methoxy-1-methylindol-3-yl)propan-1-amine
CID 82278662
2-(4-methoxy-1-methylindol-3-yl)ethyl-trimethylazanium;iodide;hydrate
CID 156698147
2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid
CID 58304033
(4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone
CID 107360312
(1R)-1-(4-methoxy-1-methylindol-3-yl)propan-1-ol
CID 107360558
2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one
CID 107360355
3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol
CID 156852043
1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol
CID 82278890
3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride
CID 166732600
3-(5-methoxy-1-methyl-4-nitroindol-3-yl)propanoic acid
CID 126574372
3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid
CID 83173822

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-methylindol-3-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-1-methylindol-3-yl)acetic acid (CID 82278588) is 2-(4-methoxy-1-methylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-1-methylindol-3-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-1-methylindol-3-yl)acetic acid is COc1cccc2c1c(CC(=O)O)cn2C.
What is the InChIKey of 2-(4-methoxy-1-methylindol-3-yl)acetic acid?
The InChIKey is WEBBAAZQTWJCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-13-7-8(6-11(14)15)12-9(13)4-3-5-10(12)16-2/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methoxy-1-methylindol-3-yl)acetic acid?
2-(4-methoxy-1-methylindol-3-yl)acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-methylindol-3-yl)acetic acid is sourced from PubChem (CID 82278588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).