3-(5-fluoro-1H-indol-3-yl)propanoic acid

C11H10FNO2 — CID 10899794

IUPAC3-(5-fluoro-1H-indol-3-yl)propanoic acid
SMILESO=C(O)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C11H10FNO2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4H2,(H,14,15)
InChIKeyVWGFABPQHOAUQY-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.32
Rot. Bonds3

About 3-(5-fluoro-1H-indol-3-yl)propanoic acid

3-(5-fluoro-1H-indol-3-yl)propanoic acid (PubChem CID 10899794) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)propanoic acid
PubChem CID10899794
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name3-(5-fluoro-1H-indol-3-yl)propanoic acid
SMILESO=C(O)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C11H10FNO2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4H2,(H,14,15)
InChIKeyVWGFABPQHOAUQY-UHFFFAOYSA-N
XLogP2.32
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
3-(5-methylsulfonyl-1H-indol-3-yl)propanoic acid
CID 83984871
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;hydrate
CID 24721259
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
CID 110731483
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111424482
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-3-yl)propanoic acid?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)propanoic acid (CID 10899794) is 3-(5-fluoro-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)propanoic acid is O=C(O)CCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)propanoic acid?
The InChIKey is VWGFABPQHOAUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4H2,(H,14,15).
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)propanoic acid?
3-(5-fluoro-1H-indol-3-yl)propanoic acid has a molecular weight of 207.20 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 10899794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).