5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid

C15H19NO2Se — CID 582674

IUPAC5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid
SMILESO=C(O)CCCC[Se]CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H19NO2Se/c17-15(18)7-3-4-9-19-10-8-12-11-16-14-6-2-1-5-13(12)14/h1-2,5-6,11,16H,3-4,7-10H2,(H,17,18)
InChIKeyPWAHARVWPZVJTI-UHFFFAOYSA-N
MW324.28 g/mol
LogP3.51
Rot. Bonds8

About 5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid

5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid (PubChem CID 582674) has the molecular formula C15H19NO2Se and a molecular weight of 324.28 g/mol. Its IUPAC name is 5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid.

Molecular Properties

Compound Name5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid
PubChem CID582674
Molecular FormulaC15H19NO2Se
Molecular Weight324.28 g/mol
Exact Mass325.06
IUPAC Name5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid
SMILESO=C(O)CCCC[Se]CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H19NO2Se/c17-15(18)7-3-4-9-19-10-8-12-11-16-14-6-2-1-5-13(12)14/h1-2,5-6,11,16H,3-4,7-10H2,(H,17,18)
InChIKeyPWAHARVWPZVJTI-UHFFFAOYSA-N
XLogP3.51
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid?
The IUPAC name of 5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid (CID 582674) is 5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid.
What is the SMILES notation for 5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid?
The canonical SMILES for 5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid is O=C(O)CCCC[Se]CCc1c[nH]c2ccccc12.
What is the InChIKey of 5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid?
The InChIKey is PWAHARVWPZVJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2Se/c17-15(18)7-3-4-9-19-10-8-12-11-16-14-6-2-1-5-13(12)14/h1-2,5-6,11,16H,3-4,7-10H2,(H,17,18).
What are the key properties of 5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid?
5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid has a molecular weight of 324.28 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid is sourced from PubChem (CID 582674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).