2-(1,2,6-trimethylindol-3-yl)acetic acid

C13H15NO2 — CID 82493301

IUPAC2-(1,2,6-trimethylindol-3-yl)acetic acid
SMILESCc1ccc2c(CC(=O)O)c(C)n(C)c2c1
InChIInChI=1S/C13H15NO2/c1-8-4-5-10-11(7-13(15)16)9(2)14(3)12(10)6-8/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyHWEGUKPMOGZNFE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.42
Rot. Bonds2

About 2-(1,2,6-trimethylindol-3-yl)acetic acid

2-(1,2,6-trimethylindol-3-yl)acetic acid (PubChem CID 82493301) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(1,2,6-trimethylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2,6-trimethylindol-3-yl)acetic acid
PubChem CID82493301
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(1,2,6-trimethylindol-3-yl)acetic acid
SMILESCc1ccc2c(CC(=O)O)c(C)n(C)c2c1
InChIInChI=1S/C13H15NO2/c1-8-4-5-10-11(7-13(15)16)9(2)14(3)12(10)6-8/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyHWEGUKPMOGZNFE-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(1,2,6-trimethylindol-3-yl)propan-1-amine
CID 82493187
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
CID 82250478
2-(6-benzyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid
CID 83984399
2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone
CID 935993
2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
2-(6-iodo-1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82252954
4-(1,2,6-trimethylindol-3-yl)butan-2-amine
CID 82495296
N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide
CID 163300073
1,2-dimethyl-3-(methylaminomethyl)indole-6-carboxylic acid
CID 68901983
methyl 3-ethyl-1,2-dimethylindole-6-carboxylate
CID 143166836
2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]acetic acid
CID 165351742
1,6-dimethyl-3-[[2-(2-methylphenyl)ethylamino]methyl]indole-2-carboxylic acid
CID 53208792

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,6-trimethylindol-3-yl)acetic acid?
The IUPAC name of 2-(1,2,6-trimethylindol-3-yl)acetic acid (CID 82493301) is 2-(1,2,6-trimethylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1,2,6-trimethylindol-3-yl)acetic acid?
The canonical SMILES for 2-(1,2,6-trimethylindol-3-yl)acetic acid is Cc1ccc2c(CC(=O)O)c(C)n(C)c2c1.
What is the InChIKey of 2-(1,2,6-trimethylindol-3-yl)acetic acid?
The InChIKey is HWEGUKPMOGZNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-4-5-10-11(7-13(15)16)9(2)14(3)12(10)6-8/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(1,2,6-trimethylindol-3-yl)acetic acid?
2-(1,2,6-trimethylindol-3-yl)acetic acid has a molecular weight of 217.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,6-trimethylindol-3-yl)acetic acid is sourced from PubChem (CID 82493301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).