1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid

C14H19NO3 — CID 113382494

IUPAC1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid
SMILESCC(C)OCCN1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C14H19NO3/c1-10(2)18-8-7-15-6-5-11-3-4-12(14(16)17)9-13(11)15/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)
InChIKeyPTNBCGGTBAACRW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds5

About 1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid

1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid (PubChem CID 113382494) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid
PubChem CID113382494
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid
SMILESCC(C)OCCN1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C14H19NO3/c1-10(2)18-8-7-15-6-5-11-3-4-12(14(16)17)9-13(11)15/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)
InChIKeyPTNBCGGTBAACRW-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpropoxy)ethyl]-2,3-dihydroindole-6-carboxylic acid
CID 106454812
1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
CID 82263645
2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid
CID 102711222
1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid
CID 113382483
N-[1-(2-ethoxyethyl)-2,3-dihydroindol-6-yl]benzamide
CID 142743444
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid
CID 103503737
1-(2-propan-2-yloxyethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957754
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide
CID 53160481
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 103501908
1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid
CID 114200376

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid (CID 113382494) is 1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid is CC(C)OCCN1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is PTNBCGGTBAACRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)18-8-7-15-6-5-11-3-4-12(14(16)17)9-13(11)15/h3-4,9-10H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid?
1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 113382494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).