3-(2-oxoindol-5-yl)propanoic acid

C11H9NO3 — CID 69088267

IUPAC3-(2-oxoindol-5-yl)propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C11H9NO3/c13-10-6-8-5-7(2-4-11(14)15)1-3-9(8)12-10/h1,3,5-6H,2,4H2,(H,14,15)
InChIKeyVYCZUSVVZQCGLC-UHFFFAOYSA-N
MW203.20 g/mol
LogP-0.36
Rot. Bonds3

About 3-(2-oxoindol-5-yl)propanoic acid

3-(2-oxoindol-5-yl)propanoic acid (PubChem CID 69088267) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(2-oxoindol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxoindol-5-yl)propanoic acid
PubChem CID69088267
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-(2-oxoindol-5-yl)propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C11H9NO3/c13-10-6-8-5-7(2-4-11(14)15)1-3-9(8)12-10/h1,3,5-6H,2,4H2,(H,14,15)
InChIKeyVYCZUSVVZQCGLC-UHFFFAOYSA-N
XLogP-0.36
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoindol-5-yl)propanoic acid?
The IUPAC name of 3-(2-oxoindol-5-yl)propanoic acid (CID 69088267) is 3-(2-oxoindol-5-yl)propanoic acid.
What is the SMILES notation for 3-(2-oxoindol-5-yl)propanoic acid?
The canonical SMILES for 3-(2-oxoindol-5-yl)propanoic acid is O=C(O)CCc1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 3-(2-oxoindol-5-yl)propanoic acid?
The InChIKey is VYCZUSVVZQCGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-10-6-8-5-7(2-4-11(14)15)1-3-9(8)12-10/h1,3,5-6H,2,4H2,(H,14,15).
What are the key properties of 3-(2-oxoindol-5-yl)propanoic acid?
3-(2-oxoindol-5-yl)propanoic acid has a molecular weight of 203.20 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoindol-5-yl)propanoic acid is sourced from PubChem (CID 69088267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).