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

C11H10BrNO2 — CID 18450038

IUPAC3-(5-bromo-1H-indol-3-yl)propanoic acid
SMILESO=C(O)CCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H10BrNO2/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)
InChIKeyDRCUGRYTGTWNRN-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.95
Rot. Bonds3

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

3-(5-bromo-1H-indol-3-yl)propanoic acid (PubChem CID 18450038) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-(5-bromo-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-bromo-1H-indol-3-yl)propanoic acid
PubChem CID18450038
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name3-(5-bromo-1H-indol-3-yl)propanoic acid
SMILESO=C(O)CCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H10BrNO2/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)
InChIKeyDRCUGRYTGTWNRN-UHFFFAOYSA-N
XLogP2.95
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-(5-bromo-1H-indol-3-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1H-indol-3-yl)propanoic acid?
The IUPAC name of 3-(5-bromo-1H-indol-3-yl)propanoic acid (CID 18450038) is 3-(5-bromo-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-bromo-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 3-(5-bromo-1H-indol-3-yl)propanoic acid is O=C(O)CCc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 3-(5-bromo-1H-indol-3-yl)propanoic acid?
The InChIKey is DRCUGRYTGTWNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/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-bromo-1H-indol-3-yl)propanoic acid?
3-(5-bromo-1H-indol-3-yl)propanoic acid has a molecular weight of 268.11 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 18450038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).