2-(4-methyl-1H-indol-3-yl)acetic acid

C11H11NO2 — CID 22490432

IUPAC2-(4-methyl-1H-indol-3-yl)acetic acid
SMILESCc1cccc2[nH]cc(CC(=O)O)c12
InChIInChI=1S/C11H11NO2/c1-7-3-2-4-9-11(7)8(6-12-9)5-10(13)14/h2-4,6,12H,5H2,1H3,(H,13,14)
InChIKeyHCJHZUYDCZGMHA-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.10
Rot. Bonds2

About 2-(4-methyl-1H-indol-3-yl)acetic acid

2-(4-methyl-1H-indol-3-yl)acetic acid (PubChem CID 22490432) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(4-methyl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-1H-indol-3-yl)acetic acid
PubChem CID22490432
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(4-methyl-1H-indol-3-yl)acetic acid
SMILESCc1cccc2[nH]cc(CC(=O)O)c12
InChIInChI=1S/C11H11NO2/c1-7-3-2-4-9-11(7)8(6-12-9)5-10(13)14/h2-4,6,12H,5H2,1H3,(H,13,14)
InChIKeyHCJHZUYDCZGMHA-UHFFFAOYSA-N
XLogP2.10
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(4-methyl-1H-indol-3-yl)acetic acid (CID 22490432) is 2-(4-methyl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-1H-indol-3-yl)acetic acid is Cc1cccc2[nH]cc(CC(=O)O)c12.
What is the InChIKey of 2-(4-methyl-1H-indol-3-yl)acetic acid?
The InChIKey is HCJHZUYDCZGMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-3-2-4-9-11(7)8(6-12-9)5-10(13)14/h2-4,6,12H,5H2,1H3,(H,13,14).
What are the key properties of 2-(4-methyl-1H-indol-3-yl)acetic acid?
2-(4-methyl-1H-indol-3-yl)acetic acid has a molecular weight of 189.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 22490432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).