1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid

C14H19NO4 — CID 80566995

IUPAC1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCCOCC(O)CN1c2ccccc2CC1C(=O)O
InChIInChI=1S/C14H19NO4/c1-2-19-9-11(16)8-15-12-6-4-3-5-10(12)7-13(15)14(17)18/h3-6,11,13,16H,2,7-9H2,1H3,(H,17,18)
InChIKeyUCNCQWDHQGGYPA-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.90
Rot. Bonds6

About 1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid

1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 80566995) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID80566995
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCCOCC(O)CN1c2ccccc2CC1C(=O)O
InChIInChI=1S/C14H19NO4/c1-2-19-9-11(16)8-15-12-6-4-3-5-10(12)7-13(15)14(17)18/h3-6,11,13,16H,2,7-9H2,1H3,(H,17,18)
InChIKeyUCNCQWDHQGGYPA-UHFFFAOYSA-N
XLogP0.90
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid
CID 106454785
(2S)-1-[(4R)-5-ethoxy-2,4-dimethyl-5-oxopentyl]-2,3-dihydroindole-2-carboxylic acid
CID 70387717
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
(2S)-1-(2-ethoxyacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 28779680
(2S)-1-[(2S)-2-amino-3-oxopropyl]-2,3-dihydroindole-2-carboxylic acid
CID 86739477
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566836
1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566850
(2S)-1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61201079
1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid
CID 81113053
(2S)-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-2,3-dihydroindole-2-carboxamide
CID 110921547
1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566903
1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid
CID 151895326

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid (CID 80566995) is 1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid is CCOCC(O)CN1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is UCNCQWDHQGGYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-19-9-11(16)8-15-12-6-4-3-5-10(12)7-13(15)14(17)18/h3-6,11,13,16H,2,7-9H2,1H3,(H,17,18).
What are the key properties of 1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid?
1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 80566995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).