2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid

C14H17NO2 — CID 83944287

IUPAC2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid
SMILESCc1c(C)n(C(C)C)c2ccc(C(=O)O)cc12
InChIInChI=1S/C14H17NO2/c1-8(2)15-10(4)9(3)12-7-11(14(16)17)5-6-13(12)15/h5-8H,1-4H3,(H,16,17)
InChIKeyVGPWNDJELVSFAR-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.54
Rot. Bonds2

About 2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid

2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid (PubChem CID 83944287) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid
PubChem CID83944287
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid
SMILESCc1c(C)n(C(C)C)c2ccc(C(=O)O)cc12
InChIInChI=1S/C14H17NO2/c1-8(2)15-10(4)9(3)12-7-11(14(16)17)5-6-13(12)15/h5-8H,1-4H3,(H,16,17)
InChIKeyVGPWNDJELVSFAR-UHFFFAOYSA-N
XLogP3.54
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-1-propan-2-ylindole-5-carboxylic 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-1-propan-2-ylindol-5-yl)-2-fluorobut-2-enoic acid
CID 70158025
3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944293
3-(3-hydroxypropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944291
3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944292
1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826
7-(2,3-dimethyl-1-propan-2-ylindol-5-yl)-6-fluoro-3-methylocta-2,4,6-trienoic acid
CID 54041408
1-[(1S)-1-[4-[(2S)-1-methoxy-3-oxopropan-2-yl]oxyphenyl]ethyl]-2,3-dimethylindole-5-carboxylic acid
CID 123187448
2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-5-carboxylic acid
CID 115942933
1-but-2-ynyl-2,3-dimethylindole-5-carboxylic acid
CID 62309566
1-(5-hydroxypentyl)-2,3-dimethylindole-5-carboxylic acid
CID 62229225
3-(hydroxymethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175803
1-butyl-2-methyl-3-propan-2-ylindole-5-carboxylic acid
CID 83944298

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid?
The IUPAC name of 2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid (CID 83944287) is 2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid is Cc1c(C)n(C(C)C)c2ccc(C(=O)O)cc12.
What is the InChIKey of 2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid?
The InChIKey is VGPWNDJELVSFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8(2)15-10(4)9(3)12-7-11(14(16)17)5-6-13(12)15/h5-8H,1-4H3,(H,16,17).
What are the key properties of 2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid?
2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid is sourced from PubChem (CID 83944287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).