1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid

C22H23NO5 — CID 13364507

IUPAC1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C(CCC(=O)N1c2ccccc2CC1C(=O)O)CCc1ccccc1
InChIInChI=1S/C22H23NO5/c24-20(23-18-9-5-4-8-17(18)14-19(23)22(27)28)13-12-16(21(25)26)11-10-15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,25,26)(H,27,28)
InChIKeyYDLSLXIGMPNXTQ-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.14
Rot. Bonds8

About 1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid

1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 13364507) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID13364507
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C(CCC(=O)N1c2ccccc2CC1C(=O)O)CCc1ccccc1
InChIInChI=1S/C22H23NO5/c24-20(23-18-9-5-4-8-17(18)14-19(23)22(27)28)13-12-16(21(25)26)11-10-15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,25,26)(H,27,28)
InChIKeyYDLSLXIGMPNXTQ-UHFFFAOYSA-N
XLogP3.14
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid (CID 13364507) is 1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C(CCC(=O)N1c2ccccc2CC1C(=O)O)CCc1ccccc1.
What is the InChIKey of 1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is YDLSLXIGMPNXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c24-20(23-18-9-5-4-8-17(18)14-19(23)22(27)28)13-12-16(21(25)26)11-10-15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,25,26)(H,27,28).
What are the key properties of 1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid?
1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 381.43 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carboxy-6-phenylhexanoyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 13364507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).