1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid

C14H17NO5 — CID 43359821

IUPAC1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCOCCOCC(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C14H17NO5/c1-19-6-7-20-9-13(16)15-11-5-3-2-4-10(11)8-12(15)14(17)18/h2-5,12H,6-9H2,1H3,(H,17,18)
InChIKeyBAUKVPHRRQVTDP-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.69
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid

1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 43359821) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID43359821
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCOCCOCC(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C14H17NO5/c1-19-6-7-20-9-13(16)15-11-5-3-2-4-10(11)8-12(15)14(17)18/h2-5,12H,6-9H2,1H3,(H,17,18)
InChIKeyBAUKVPHRRQVTDP-UHFFFAOYSA-N
XLogP0.69
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(2-ethoxyacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 28779680
1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61447430
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[3-[[3-(2-carboxy-2,3-dihydroindol-1-yl)-3-oxopropyl]disulfanyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 12764263
(2S)-1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61452466
1-heptanoyl-2,3-dihydroindole-2-carboxylic acid
CID 43359818
1-[2-(ethylamino)-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62837015
(2S)-1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61201079
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid (CID 43359821) is 1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid is COCCOCC(=O)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is BAUKVPHRRQVTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-6-7-20-9-13(16)15-11-5-3-2-4-10(11)8-12(15)14(17)18/h2-5,12H,6-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid?
1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 43359821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).