2-(5-ethyl-1H-indol-3-yl)acetic acid

C12H13NO2 — CID 15089964

IUPAC2-(5-ethyl-1H-indol-3-yl)acetic acid
SMILESCCc1ccc2[nH]cc(CC(=O)O)c2c1
InChIInChI=1S/C12H13NO2/c1-2-8-3-4-11-10(5-8)9(7-13-11)6-12(14)15/h3-5,7,13H,2,6H2,1H3,(H,14,15)
InChIKeyZWXOHBRBIAQHFP-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.36
Rot. Bonds3

About 2-(5-ethyl-1H-indol-3-yl)acetic acid

2-(5-ethyl-1H-indol-3-yl)acetic acid (PubChem CID 15089964) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(5-ethyl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-1H-indol-3-yl)acetic acid
PubChem CID15089964
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(5-ethyl-1H-indol-3-yl)acetic acid
SMILESCCc1ccc2[nH]cc(CC(=O)O)c2c1
InChIInChI=1S/C12H13NO2/c1-2-8-3-4-11-10(5-8)9(7-13-11)6-12(14)15/h3-5,7,13H,2,6H2,1H3,(H,14,15)
InChIKeyZWXOHBRBIAQHFP-UHFFFAOYSA-N
XLogP2.36
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-1H-indol-3-yl)acetic acid (CID 15089964) is 2-(5-ethyl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-1H-indol-3-yl)acetic acid is CCc1ccc2[nH]cc(CC(=O)O)c2c1.
What is the InChIKey of 2-(5-ethyl-1H-indol-3-yl)acetic acid?
The InChIKey is ZWXOHBRBIAQHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-8-3-4-11-10(5-8)9(7-13-11)6-12(14)15/h3-5,7,13H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-(5-ethyl-1H-indol-3-yl)acetic acid?
2-(5-ethyl-1H-indol-3-yl)acetic acid has a molecular weight of 203.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 15089964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).