1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid

C15H17NO5 — CID 13105674

IUPAC1-(4-carboxypentanoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC(CCC(=O)N1C(CC2=CC=CC=C21)C(=O)O)C(=O)O
InChIInChI=1S/C15H17NO5/c1-9(14(18)19)6-7-13(17)16-11-5-3-2-4-10(11)8-12(16)15(20)21/h2-5,9,12H,6-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyQXTFTVTVHJDENI-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.30
Rot. Bonds5

About 1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid

1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 13105674) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-(4-carboxypentanoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID13105674
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name1-(4-carboxypentanoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC(CCC(=O)N1C(CC2=CC=CC=C21)C(=O)O)C(=O)O
InChIInChI=1S/C15H17NO5/c1-9(14(18)19)6-7-13(17)16-11-5-3-2-4-10(11)8-12(16)15(20)21/h2-5,9,12H,6-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyQXTFTVTVHJDENI-UHFFFAOYSA-N
XLogP1.30
TPSA94.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity436

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid (CID 13105674) is 1-(4-carboxypentanoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid is CC(CCC(=O)N1C(CC2=CC=CC=C21)C(=O)O)C(=O)O.
What is the InChIKey of 1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is QXTFTVTVHJDENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-9(14(18)19)6-7-13(17)16-11-5-3-2-4-10(11)8-12(16)15(20)21/h2-5,9,12H,6-8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid?
1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 13105674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).