2-propan-2-yl-1H-indole-3-carboxylic acid

C12H13NO2 — CID 84671443

IUPAC2-propan-2-yl-1H-indole-3-carboxylic acid
SMILESCC(C)c1[nH]c2ccccc2c1C(=O)O
InChIInChI=1S/C12H13NO2/c1-7(2)11-10(12(14)15)8-5-3-4-6-9(8)13-11/h3-7,13H,1-2H3,(H,14,15)
InChIKeyWPWXGMBBLMXDEQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.99
Rot. Bonds2

About 2-propan-2-yl-1H-indole-3-carboxylic acid

2-propan-2-yl-1H-indole-3-carboxylic acid (PubChem CID 84671443) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-propan-2-yl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-1H-indole-3-carboxylic acid
PubChem CID84671443
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-propan-2-yl-1H-indole-3-carboxylic acid
SMILESCC(C)c1[nH]c2ccccc2c1C(=O)O
InChIInChI=1S/C12H13NO2/c1-7(2)11-10(12(14)15)8-5-3-4-6-9(8)13-11/h3-7,13H,1-2H3,(H,14,15)
InChIKeyWPWXGMBBLMXDEQ-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-oxo-2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 69267464
2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 70573715
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84672243
2,3-di(propan-2-yl)-1H-indole
CID 15398122
2-[1-(4-methylpiperazin-1-yl)propyl]-1H-indole-3-carboxylic acid
CID 70042094
2-propan-2-yl-1H-indol-3-amine
CID 166774840
2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid
CID 70048755
2-carbamoyl-1H-indole-3-carboxylic acid
CID 83814167
2-(sulfanylmethyl)-1H-indole-3-carboxylic acid
CID 158535283
2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one
CID 43140038
9H-carbazole;carbonic acid
CID 67577328
2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid
CID 115146312

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-indole-3-carboxylic acid?
The IUPAC name of 2-propan-2-yl-1H-indole-3-carboxylic acid (CID 84671443) is 2-propan-2-yl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-1H-indole-3-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-1H-indole-3-carboxylic acid is CC(C)c1[nH]c2ccccc2c1C(=O)O.
What is the InChIKey of 2-propan-2-yl-1H-indole-3-carboxylic acid?
The InChIKey is WPWXGMBBLMXDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(2)11-10(12(14)15)8-5-3-4-6-9(8)13-11/h3-7,13H,1-2H3,(H,14,15).
What are the key properties of 2-propan-2-yl-1H-indole-3-carboxylic acid?
2-propan-2-yl-1H-indole-3-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 84671443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).