2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid

C13H15NO3 — CID 117119823

IUPAC2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid
SMILESCn1cc(C(C)(C)C(=O)O)c2c(O)cccc21
InChIInChI=1S/C13H15NO3/c1-13(2,12(16)17)8-7-14(3)9-5-4-6-10(15)11(8)9/h4-7,15H,1-3H3,(H,16,17)
InChIKeyGRZPPIMVUBWLJW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.25
Rot. Bonds2

About 2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid

2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid (PubChem CID 117119823) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid
PubChem CID117119823
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid
SMILESCn1cc(C(C)(C)C(=O)O)c2c(O)cccc21
InChIInChI=1S/C13H15NO3/c1-13(2,12(16)17)8-7-14(3)9-5-4-6-10(15)11(8)9/h4-7,15H,1-3H3,(H,16,17)
InChIKeyGRZPPIMVUBWLJW-UHFFFAOYSA-N
XLogP2.25
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-1-methylindol-3-yl)ethanone
CID 82655872
2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
CID 117119738
2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid
CID 117204331
2-(1-ethyl-7-hydroxyindol-3-yl)-2-methylpropanoic acid
CID 117197967
2-(1,3-dimethylindol-4-yl)propan-2-ol
CID 15852030
benzyl 4-hydroxy-1-methylindole-3-carboxylate
CID 11097978
3-(ethylsulfanylmethyl)-1-methylindol-4-ol
CID 117171494
3-(1-fluoroethyl)-1-methylindol-4-ol
CID 84664633
5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115109249
5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108344
2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid
CID 98033683
2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid
CID 22943029

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid (CID 117119823) is 2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid is Cn1cc(C(C)(C)C(=O)O)c2c(O)cccc21.
What is the InChIKey of 2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid?
The InChIKey is GRZPPIMVUBWLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2,12(16)17)8-7-14(3)9-5-4-6-10(15)11(8)9/h4-7,15H,1-3H3,(H,16,17).
What are the key properties of 2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid?
2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117119823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).