1-(2-methylpentyl)indole-6-carboxylic acid

C15H19NO2 — CID 55229260

IUPAC1-(2-methylpentyl)indole-6-carboxylic acid
SMILESCCCC(C)Cn1ccc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H19NO2/c1-3-4-11(2)10-16-8-7-12-5-6-13(15(17)18)9-14(12)16/h5-9,11H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyAQNBOMSYVVPELN-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-methylpentyl)indole-6-carboxylic acid

1-(2-methylpentyl)indole-6-carboxylic acid (PubChem CID 55229260) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2-methylpentyl)indole-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpentyl)indole-6-carboxylic acid
PubChem CID55229260
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(2-methylpentyl)indole-6-carboxylic acid
SMILESCCCC(C)Cn1ccc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H19NO2/c1-3-4-11(2)10-16-8-7-12-5-6-13(15(17)18)9-14(12)16/h5-9,11H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyAQNBOMSYVVPELN-UHFFFAOYSA-N
XLogP3.78
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(carboxymethyl)indole-6-carboxylic acid
CID 83948256
1-[2-(3-methylbutoxy)ethyl]indole-6-carboxylic acid
CID 63748611
1-(2-propan-2-ylsulfonylethyl)indole-6-carboxylic acid
CID 106716870
1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid
CID 63936802
1-(2-amino-2-oxoethyl)indole-6-carboxylic acid
CID 24720961
1-(3-aminopropyl)indole-6-carboxylic acid
CID 83946639
1-pent-3-ynylindole-6-carboxylic acid
CID 104808364
1-but-3-ynylindole-6-carboxylic acid
CID 63750392
1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
CID 63748417
1-[2-(2-methylimidazol-1-yl)ethyl]indole-6-carboxylic acid
CID 63749665
3-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid
CID 82791170
1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid
CID 82899150

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentyl)indole-6-carboxylic acid?
The IUPAC name of 1-(2-methylpentyl)indole-6-carboxylic acid (CID 55229260) is 1-(2-methylpentyl)indole-6-carboxylic acid.
What is the SMILES notation for 1-(2-methylpentyl)indole-6-carboxylic acid?
The canonical SMILES for 1-(2-methylpentyl)indole-6-carboxylic acid is CCCC(C)Cn1ccc2ccc(C(=O)O)cc21.
What is the InChIKey of 1-(2-methylpentyl)indole-6-carboxylic acid?
The InChIKey is AQNBOMSYVVPELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-4-11(2)10-16-8-7-12-5-6-13(15(17)18)9-14(12)16/h5-9,11H,3-4,10H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-methylpentyl)indole-6-carboxylic acid?
1-(2-methylpentyl)indole-6-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentyl)indole-6-carboxylic acid is sourced from PubChem (CID 55229260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).