4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid

C16H21NO2 — CID 82500354

IUPAC4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid
SMILESCc1cc(C)c2c(CCCC(=O)O)c(C)n(C)c2c1
InChIInChI=1S/C16H21NO2/c1-10-8-11(2)16-13(6-5-7-15(18)19)12(3)17(4)14(16)9-10/h8-9H,5-7H2,1-4H3,(H,18,19)
InChIKeySICQMTINRLWWIP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.51
Rot. Bonds4

About 4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid

4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid (PubChem CID 82500354) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid
PubChem CID82500354
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid
SMILESCc1cc(C)c2c(CCCC(=O)O)c(C)n(C)c2c1
InChIInChI=1S/C16H21NO2/c1-10-8-11(2)16-13(6-5-7-15(18)19)12(3)17(4)14(16)9-10/h8-9H,5-7H2,1-4H3,(H,18,19)
InChIKeySICQMTINRLWWIP-UHFFFAOYSA-N
XLogP3.51
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid?
The IUPAC name of 4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid (CID 82500354) is 4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid.
What is the SMILES notation for 4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid?
The canonical SMILES for 4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid is Cc1cc(C)c2c(CCCC(=O)O)c(C)n(C)c2c1.
What is the InChIKey of 4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid?
The InChIKey is SICQMTINRLWWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-8-11(2)16-13(6-5-7-15(18)19)12(3)17(4)14(16)9-10/h8-9H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid?
4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid has a molecular weight of 259.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid is sourced from PubChem (CID 82500354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).