2-methyl-2-(3-methylindol-1-yl)propanoic acid

C13H15NO2 — CID 114989239

IUPAC2-methyl-2-(3-methylindol-1-yl)propanoic acid
SMILESCc1cn(C(C)(C)C(=O)O)c2ccccc12
InChIInChI=1S/C13H15NO2/c1-9-8-14(13(2,3)12(15)16)11-7-5-4-6-10(9)11/h4-8H,1-3H3,(H,15,16)
InChIKeyQUADKTSOZSEZPQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.77
Rot. Bonds2

About 2-methyl-2-(3-methylindol-1-yl)propanoic acid

2-methyl-2-(3-methylindol-1-yl)propanoic acid (PubChem CID 114989239) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methyl-2-(3-methylindol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methylindol-1-yl)propanoic acid
PubChem CID114989239
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-methyl-2-(3-methylindol-1-yl)propanoic acid
SMILESCc1cn(C(C)(C)C(=O)O)c2ccccc12
InChIInChI=1S/C13H15NO2/c1-9-8-14(13(2,3)12(15)16)11-7-5-4-6-10(9)11/h4-8H,1-3H3,(H,15,16)
InChIKeyQUADKTSOZSEZPQ-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(3-methylindol-1-yl)propanoic 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

2-(3-chloroindol-1-yl)-2-methylpropanoic acid
CID 114996573
2-[(3-methylindol-1-yl)carbamoyl]benzoic acid
CID 19036965
(3-methylindol-1-yl) 2-oxopropanoate
CID 167993245
2-methyl-2-(4-methylindol-1-yl)butanoic acid
CID 114991143
2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid
CID 82513666
methyl-(3-methylindol-1-yl)borinic acid
CID 58792281
2-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 82235137
(3-methylindol-1-yl)-(2-methylphenyl)methanone
CID 101389123
3-methylindole-1-sulfonic acid
CID 66799949
(3-methylindol-1-yl)methanol
CID 54090827
3-(3-methylindol-1-yl)-2-phenylpropanoic acid
CID 63073735
2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 112766333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylindol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(3-methylindol-1-yl)propanoic acid (CID 114989239) is 2-methyl-2-(3-methylindol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methylindol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-methylindol-1-yl)propanoic acid is Cc1cn(C(C)(C)C(=O)O)c2ccccc12.
What is the InChIKey of 2-methyl-2-(3-methylindol-1-yl)propanoic acid?
The InChIKey is QUADKTSOZSEZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-8-14(13(2,3)12(15)16)11-7-5-4-6-10(9)11/h4-8H,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-(3-methylindol-1-yl)propanoic acid?
2-methyl-2-(3-methylindol-1-yl)propanoic acid has a molecular weight of 217.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylindol-1-yl)propanoic acid is sourced from PubChem (CID 114989239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).