2-hydroxy-3-indol-1-ylpropanoic acid

C11H11NO3 — CID 54769707

IUPAC2-hydroxy-3-indol-1-ylpropanoic acid
SMILESO=C(O)C(O)Cn1ccc2ccccc21
InChIInChI=1S/C11H11NO3/c13-10(11(14)15)7-12-6-5-8-3-1-2-4-9(8)12/h1-6,10,13H,7H2,(H,14,15)
InChIKeyVXIVLOIJOUPMRG-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.09
Rot. Bonds3

About 2-hydroxy-3-indol-1-ylpropanoic acid

2-hydroxy-3-indol-1-ylpropanoic acid (PubChem CID 54769707) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-hydroxy-3-indol-1-ylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-indol-1-ylpropanoic acid
PubChem CID54769707
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-hydroxy-3-indol-1-ylpropanoic acid
SMILESO=C(O)C(O)Cn1ccc2ccccc21
InChIInChI=1S/C11H11NO3/c13-10(11(14)15)7-12-6-5-8-3-1-2-4-9(8)12/h1-6,10,13H,7H2,(H,14,15)
InChIKeyVXIVLOIJOUPMRG-UHFFFAOYSA-N
XLogP1.09
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-indol-1-ylpropanoic acid?
The IUPAC name of 2-hydroxy-3-indol-1-ylpropanoic acid (CID 54769707) is 2-hydroxy-3-indol-1-ylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-indol-1-ylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-indol-1-ylpropanoic acid is O=C(O)C(O)Cn1ccc2ccccc21.
What is the InChIKey of 2-hydroxy-3-indol-1-ylpropanoic acid?
The InChIKey is VXIVLOIJOUPMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10(11(14)15)7-12-6-5-8-3-1-2-4-9(8)12/h1-6,10,13H,7H2,(H,14,15).
What are the key properties of 2-hydroxy-3-indol-1-ylpropanoic acid?
2-hydroxy-3-indol-1-ylpropanoic acid has a molecular weight of 205.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-indol-1-ylpropanoic acid is sourced from PubChem (CID 54769707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).