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

C16H19NO3 — CID 82502109

IUPAC4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid
SMILESCc1cc(C)c2c(C(=O)CCC(=O)O)c(C)n(C)c2c1
InChIInChI=1S/C16H19NO3/c1-9-7-10(2)15-12(8-9)17(4)11(3)16(15)13(18)5-6-14(19)20/h7-8H,5-6H2,1-4H3,(H,19,20)
InChIKeyBOESFBXJFZQZMW-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.15
Rot. Bonds4

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

4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid (PubChem CID 82502109) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid
PubChem CID82502109
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid
SMILESCc1cc(C)c2c(C(=O)CCC(=O)O)c(C)n(C)c2c1
InChIInChI=1S/C16H19NO3/c1-9-7-10(2)15-12(8-9)17(4)11(3)16(15)13(18)5-6-14(19)20/h7-8H,5-6H2,1-4H3,(H,19,20)
InChIKeyBOESFBXJFZQZMW-UHFFFAOYSA-N
XLogP3.15
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid
CID 82500354
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641648
2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone
CID 935993
4-(2-ethoxy-3,5-dimethylphenyl)-4-oxobutanoic acid
CID 82053193
N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82116197
4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid
CID 58433027
2-bromo-1,3,4,6-tetramethylindole
CID 84634563
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoic acid
CID 4741828
4-(2,4,6-trimethylphenoxy)pent-4-enoic acid
CID 143069351

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid (CID 82502109) is 4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid is Cc1cc(C)c2c(C(=O)CCC(=O)O)c(C)n(C)c2c1.
What is the InChIKey of 4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid?
The InChIKey is BOESFBXJFZQZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-7-10(2)15-12(8-9)17(4)11(3)16(15)13(18)5-6-14(19)20/h7-8H,5-6H2,1-4H3,(H,19,20).
What are the key properties of 4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid?
4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid has a molecular weight of 273.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid is sourced from PubChem (CID 82502109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).