3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid

C13H14FNO2 — CID 83859983

IUPAC3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1cc2cc(F)ccc2n1C)C(=O)O
InChIInChI=1S/C13H14FNO2/c1-8(13(16)17)5-11-7-9-6-10(14)3-4-12(9)15(11)2/h3-4,6-8H,5H2,1-2H3,(H,16,17)
InChIKeyIWUAMPJBJJDHHE-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.58
Rot. Bonds3

About 3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid

3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid (PubChem CID 83859983) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid
PubChem CID83859983
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1cc2cc(F)ccc2n1C)C(=O)O
InChIInChI=1S/C13H14FNO2/c1-8(13(16)17)5-11-7-9-6-10(14)3-4-12(9)15(11)2/h3-4,6-8H,5H2,1-2H3,(H,16,17)
InChIKeyIWUAMPJBJJDHHE-UHFFFAOYSA-N
XLogP2.58
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-1-methylindol-2-yl)-2-methylpropanoic acid
CID 117121644
methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate
CID 170884498
3-(1-ethyl-6-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117122874
2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 4902610
2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid
CID 82663207
3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid
CID 83859980
2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
CID 83860165
(2S)-2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylbutanoic acid
CID 7596177
3-(7-bromo-1-methylindol-2-yl)-2-methylpropanoic acid
CID 117196879
5-fluoro-2-(methoxymethyl)-1-methylindole
CID 117176892
2-(5-fluoro-1-methylindol-2-yl)ethanamine
CID 55253436
O-[(5-fluoro-1-methylindol-2-yl)methyl]hydroxylamine
CID 117195230

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid (CID 83859983) is 3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid is CC(Cc1cc2cc(F)ccc2n1C)C(=O)O.
What is the InChIKey of 3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid?
The InChIKey is IWUAMPJBJJDHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-8(13(16)17)5-11-7-9-6-10(14)3-4-12(9)15(11)2/h3-4,6-8H,5H2,1-2H3,(H,16,17).
What are the key properties of 3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid?
3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid has a molecular weight of 235.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83859983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).