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

C11H11NO3 — CID 21286278

IUPAC2-hydroxy-2-indol-1-ylpropanoic acid
SMILESCC(O)(C(=O)O)n1ccc2ccccc21
InChIInChI=1S/C11H11NO3/c1-11(15,10(13)14)12-7-6-8-4-2-3-5-9(8)12/h2-7,15H,1H3,(H,13,14)
InChIKeyUKFHJUYNRSFMLM-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.39
Rot. Bonds2

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

2-hydroxy-2-indol-1-ylpropanoic acid (PubChem CID 21286278) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-hydroxy-2-indol-1-ylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-indol-1-ylpropanoic acid
PubChem CID21286278
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-hydroxy-2-indol-1-ylpropanoic acid
SMILESCC(O)(C(=O)O)n1ccc2ccccc21
InChIInChI=1S/C11H11NO3/c1-11(15,10(13)14)12-7-6-8-4-2-3-5-9(8)12/h2-7,15H,1H3,(H,13,14)
InChIKeyUKFHJUYNRSFMLM-UHFFFAOYSA-N
XLogP1.39
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-indol-1-ylpropanoic acid?
The IUPAC name of 2-hydroxy-2-indol-1-ylpropanoic acid (CID 21286278) is 2-hydroxy-2-indol-1-ylpropanoic acid.
What is the SMILES notation for 2-hydroxy-2-indol-1-ylpropanoic acid?
The canonical SMILES for 2-hydroxy-2-indol-1-ylpropanoic acid is CC(O)(C(=O)O)n1ccc2ccccc21.
What is the InChIKey of 2-hydroxy-2-indol-1-ylpropanoic acid?
The InChIKey is UKFHJUYNRSFMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-11(15,10(13)14)12-7-6-8-4-2-3-5-9(8)12/h2-7,15H,1H3,(H,13,14).
What are the key properties of 2-hydroxy-2-indol-1-ylpropanoic acid?
2-hydroxy-2-indol-1-ylpropanoic acid has a molecular weight of 205.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-indol-1-ylpropanoic acid is sourced from PubChem (CID 21286278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).