1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid

C14H19NO3 — CID 106454785

IUPAC1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCCCOCCN1c2ccccc2CC1C(=O)O
InChIInChI=1S/C14H19NO3/c1-2-8-18-9-7-15-12-6-4-3-5-11(12)10-13(15)14(16)17/h3-6,13H,2,7-10H2,1H3,(H,16,17)
InChIKeyDMHHVDONFRMIEL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.93
Rot. Bonds6

About 1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid

1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 106454785) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID106454785
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCCCOCCN1c2ccccc2CC1C(=O)O
InChIInChI=1S/C14H19NO3/c1-2-8-18-9-7-15-12-6-4-3-5-11(12)10-13(15)14(16)17/h3-6,13H,2,7-10H2,1H3,(H,16,17)
InChIKeyDMHHVDONFRMIEL-UHFFFAOYSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566995
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566836
1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid
CID 81113053
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307
1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566919
1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566903
1-(3-propoxypropanoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902474
(2S)-1-[(4R)-5-ethoxy-2,4-dimethyl-5-oxopentyl]-2,3-dihydroindole-2-carboxylic acid
CID 70387717
1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566850
(2S)-1-(2-ethoxyacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 28779680
1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566587

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid (CID 106454785) is 1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid is CCCOCCN1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is DMHHVDONFRMIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-8-18-9-7-15-12-6-4-3-5-11(12)10-13(15)14(16)17/h3-6,13H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid?
1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 106454785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).