2-(2,3-dimethyl-1H-indol-6-yl)acetic acid

C12H13NO2 — CID 82396921

IUPAC2-(2,3-dimethyl-1H-indol-6-yl)acetic acid
SMILESCc1[nH]c2cc(CC(=O)O)ccc2c1C
InChIInChI=1S/C12H13NO2/c1-7-8(2)13-11-5-9(6-12(14)15)3-4-10(7)11/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyMCJPZSVDNXYFRR-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.41
Rot. Bonds2

About 2-(2,3-dimethyl-1H-indol-6-yl)acetic acid

2-(2,3-dimethyl-1H-indol-6-yl)acetic acid (PubChem CID 82396921) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1H-indol-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethyl-1H-indol-6-yl)acetic acid
PubChem CID82396921
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(2,3-dimethyl-1H-indol-6-yl)acetic acid
SMILESCc1[nH]c2cc(CC(=O)O)ccc2c1C
InChIInChI=1S/C12H13NO2/c1-7-8(2)13-11-5-9(6-12(14)15)3-4-10(7)11/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyMCJPZSVDNXYFRR-UHFFFAOYSA-N
XLogP2.41
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,3-dimethyl-1H-indol-6-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dimethyl-1H-indol-6-yl)-2,2-dimethylpropanoic acid
CID 117365316
2-(2,3-dimethyl-1-benzothiophen-6-yl)acetic acid
CID 600423
2-methylpropyl 2,3-dimethyl-1H-indole-6-carboxylate
CID 50888695
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol
CID 117309958
2-(4-methyl-3-pentadecylphenyl)acetic acid
CID 141255119
2-(6-methylnaphthalen-2-yl)acetic acid
CID 13199360
2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole
CID 117358368
methyl 3-(2,3-dimethyl-1H-indol-5-yl)propanoate
CID 116996350
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610
2-(1-benzyl-2,3-dimethylindol-6-yl)acetic acid
CID 54330061
2-[2-[(6-chloro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]acetic acid
CID 56839997

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1H-indol-6-yl)acetic acid?
The IUPAC name of 2-(2,3-dimethyl-1H-indol-6-yl)acetic acid (CID 82396921) is 2-(2,3-dimethyl-1H-indol-6-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dimethyl-1H-indol-6-yl)acetic acid?
The canonical SMILES for 2-(2,3-dimethyl-1H-indol-6-yl)acetic acid is Cc1[nH]c2cc(CC(=O)O)ccc2c1C.
What is the InChIKey of 2-(2,3-dimethyl-1H-indol-6-yl)acetic acid?
The InChIKey is MCJPZSVDNXYFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-8(2)13-11-5-9(6-12(14)15)3-4-10(7)11/h3-5,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,3-dimethyl-1H-indol-6-yl)acetic acid?
2-(2,3-dimethyl-1H-indol-6-yl)acetic acid has a molecular weight of 203.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1H-indol-6-yl)acetic acid is sourced from PubChem (CID 82396921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).