2-(2,3,4-trimethylindol-1-yl)acetic acid

C13H15NO2 — CID 21386792

IUPAC2-(2,3,4-trimethylindol-1-yl)acetic acid
SMILESCc1cccc2c1c(C)c(C)n2CC(=O)O
InChIInChI=1S/C13H15NO2/c1-8-5-4-6-11-13(8)9(2)10(3)14(11)7-12(15)16/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyPLTDNZGDAYXEGT-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.65
Rot. Bonds2

About 2-(2,3,4-trimethylindol-1-yl)acetic acid

2-(2,3,4-trimethylindol-1-yl)acetic acid (PubChem CID 21386792) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(2,3,4-trimethylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3,4-trimethylindol-1-yl)acetic acid
PubChem CID21386792
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(2,3,4-trimethylindol-1-yl)acetic acid
SMILESCc1cccc2c1c(C)c(C)n2CC(=O)O
InChIInChI=1S/C13H15NO2/c1-8-5-4-6-11-13(8)9(2)10(3)14(11)7-12(15)16/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyPLTDNZGDAYXEGT-UHFFFAOYSA-N
XLogP2.65
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trimethylindol-1-yl)acetic acid?
The IUPAC name of 2-(2,3,4-trimethylindol-1-yl)acetic acid (CID 21386792) is 2-(2,3,4-trimethylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(2,3,4-trimethylindol-1-yl)acetic acid?
The canonical SMILES for 2-(2,3,4-trimethylindol-1-yl)acetic acid is Cc1cccc2c1c(C)c(C)n2CC(=O)O.
What is the InChIKey of 2-(2,3,4-trimethylindol-1-yl)acetic acid?
The InChIKey is PLTDNZGDAYXEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-5-4-6-11-13(8)9(2)10(3)14(11)7-12(15)16/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,3,4-trimethylindol-1-yl)acetic acid?
2-(2,3,4-trimethylindol-1-yl)acetic acid has a molecular weight of 217.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethylindol-1-yl)acetic acid is sourced from PubChem (CID 21386792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).