2-(2-propan-2-yl-1H-indol-3-yl)acetic acid

C13H15NO2 — CID 70573715

IUPAC2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
SMILESCC(C)c1[nH]c2ccccc2c1CC(=O)O
InChIInChI=1S/C13H15NO2/c1-8(2)13-10(7-12(15)16)9-5-3-4-6-11(9)14-13/h3-6,8,14H,7H2,1-2H3,(H,15,16)
InChIKeyRWXKXSKLBNYASJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.92
Rot. Bonds3

About 2-(2-propan-2-yl-1H-indol-3-yl)acetic acid

2-(2-propan-2-yl-1H-indol-3-yl)acetic acid (PubChem CID 70573715) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
PubChem CID70573715
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
SMILESCC(C)c1[nH]c2ccccc2c1CC(=O)O
InChIInChI=1S/C13H15NO2/c1-8(2)13-10(7-12(15)16)9-5-3-4-6-11(9)14-13/h3-6,8,14H,7H2,1-2H3,(H,15,16)
InChIKeyRWXKXSKLBNYASJ-UHFFFAOYSA-N
XLogP2.92
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-methylpropanoyl)-1H-indol-3-yl]acetic acid
CID 54857086
2-(2-fluoro-1H-indol-3-yl)acetic acid
CID 22642493
2-(2-iodo-1H-indol-3-yl)acetic acid
CID 22642492
2-propan-2-yl-1H-indole-3-carboxylic acid
CID 84671443
2-oxo-2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 69267464
2,3-di(propan-2-yl)-1H-indole
CID 15398122
2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid
CID 4265168
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
2-propan-2-yl-1H-indol-3-amine
CID 166774840
9H-carbazole;propanoic acid
CID 68841226
1-(2-phenyl-1H-indol-3-yl)propan-2-one
CID 83780172
2-[2-(3-bromophenyl)-1H-indol-3-yl]acetic acid
CID 3506906

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-yl-1H-indol-3-yl)acetic acid (CID 70573715) is 2-(2-propan-2-yl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-yl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-yl-1H-indol-3-yl)acetic acid is CC(C)c1[nH]c2ccccc2c1CC(=O)O.
What is the InChIKey of 2-(2-propan-2-yl-1H-indol-3-yl)acetic acid?
The InChIKey is RWXKXSKLBNYASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8(2)13-10(7-12(15)16)9-5-3-4-6-11(9)14-13/h3-6,8,14H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-propan-2-yl-1H-indol-3-yl)acetic acid?
2-(2-propan-2-yl-1H-indol-3-yl)acetic acid has a molecular weight of 217.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 70573715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).