2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid

C13H17NO2 — CID 20766235

IUPAC2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid
SMILESCC(C)C1(CC(=O)O)Cc2ccccc2N1
InChIInChI=1S/C13H17NO2/c1-9(2)13(8-12(15)16)7-10-5-3-4-6-11(10)14-13/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyDDSLETQSNDHGSF-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.52
Rot. Bonds3

About 2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid

2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid (PubChem CID 20766235) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid
PubChem CID20766235
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid
SMILESCC(C)C1(CC(=O)O)Cc2ccccc2N1
InChIInChI=1S/C13H17NO2/c1-9(2)13(8-12(15)16)7-10-5-3-4-6-11(10)14-13/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyDDSLETQSNDHGSF-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole
CID 20766241
2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid
CID 175545746
3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 19820541
2-(2-oxo-4-propan-2-yl-3,5-dihydro-1H-1-benzazepin-4-yl)propanoic acid
CID 163747765
2-chloro-1,3-dihydroindole-2-carboxylic acid
CID 57188520
N-[(2S)-2-methyl-1,3-dihydroindol-2-yl]acetamide
CID 97107696
2,2-dimethyl-1,3-dihydroindole;ethane
CID 90930598
(2-methyl-3,4-dihydro-1H-quinolin-2-yl)methanol
CID 19963231
2-methyl-2-prop-2-enyl-1,3-dihydroindole
CID 102526165
5-[[2-(4-hydroxypentoxy)-1,3-dihydroindol-2-yl]oxy]pentan-2-ol
CID 70356693
2-(2-ethylsulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid
CID 69466679
acetic acid;1,3-dihydroindol-2-one
CID 158067424

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid (CID 20766235) is 2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid is CC(C)C1(CC(=O)O)Cc2ccccc2N1.
What is the InChIKey of 2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid?
The InChIKey is DDSLETQSNDHGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)13(8-12(15)16)7-10-5-3-4-6-11(10)14-13/h3-6,9,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid?
2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid has a molecular weight of 219.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid is sourced from PubChem (CID 20766235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).