3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid

C15H18FNO2 — CID 82278711

IUPAC3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)c1cn(C)c2c(F)cccc12
InChIInChI=1S/C15H18FNO2/c1-9(2)11(7-14(18)19)12-8-17(3)15-10(12)5-4-6-13(15)16/h4-6,8-9,11H,7H2,1-3H3,(H,18,19)
InChIKeyNCMRAEJSTGXUCL-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.53
Rot. Bonds4

About 3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid

3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid (PubChem CID 82278711) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid
PubChem CID82278711
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)c1cn(C)c2c(F)cccc12
InChIInChI=1S/C15H18FNO2/c1-9(2)11(7-14(18)19)12-8-17(3)15-10(12)5-4-6-13(15)16/h4-6,8-9,11H,7H2,1-3H3,(H,18,19)
InChIKeyNCMRAEJSTGXUCL-UHFFFAOYSA-N
XLogP3.53
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,7-dimethylindol-3-yl)-4-methylpentanoic acid
CID 82278709
3-(1,7-dimethylindol-3-yl)butanoic acid
CID 82278698
3-(5-chloro-1-methylindol-3-yl)-4-methylpentanoic acid
CID 133108300
3-(7-ethyl-1-methylindol-3-yl)butanoic acid
CID 82278699
2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine
CID 82497776
8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one
CID 12807888
2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone
CID 82659307
(7-fluoro-1-methylindol-3-yl)methanethiol
CID 117182099
4-methyl-3-phenylpentanoic acid
CID 3249521
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
3-(7-fluoro-1-methylindol-3-yl)-2-methylpropan-1-amine
CID 83860070
3-bromo-7-fluoro-1-methylindole
CID 154562151

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid?
The IUPAC name of 3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid (CID 82278711) is 3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid.
What is the SMILES notation for 3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid?
The canonical SMILES for 3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid is CC(C)C(CC(=O)O)c1cn(C)c2c(F)cccc12.
What is the InChIKey of 3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid?
The InChIKey is NCMRAEJSTGXUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-9(2)11(7-14(18)19)12-8-17(3)15-10(12)5-4-6-13(15)16/h4-6,8-9,11H,7H2,1-3H3,(H,18,19).
What are the key properties of 3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid?
3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid has a molecular weight of 263.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid is sourced from PubChem (CID 82278711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).