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

C11H9NO3 — CID 69088266

IUPAC2-(2-oxoindol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C11H9NO3/c1-6(11(14)15)7-2-3-9-8(4-7)5-10(13)12-9/h2-6H,1H3,(H,14,15)
InChIKeyWPUIGSSBVHZQPM-UHFFFAOYSA-N
MW203.20 g/mol
LogP-0.19
Rot. Bonds2

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

2-(2-oxoindol-5-yl)propanoic acid (PubChem CID 69088266) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(2-oxoindol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-oxoindol-5-yl)propanoic acid
PubChem CID69088266
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(2-oxoindol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C11H9NO3/c1-6(11(14)15)7-2-3-9-8(4-7)5-10(13)12-9/h2-6H,1H3,(H,14,15)
InChIKeyWPUIGSSBVHZQPM-UHFFFAOYSA-N
XLogP-0.19
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Oxoindol-3-yl)acetic acid
CID 11788737
5-Carboxyindole-2-one
CID 46739852
6-Acetylimino-3-fluorocyclohexa-2,4-diene-1-carboxylic acid
CID 141315176
2h5-Indoleacetic acid
CID 145740158
Acetic acid;indol-2-one
CID 17933243
2-(2-Methylindol-2-yl)acetic acid
CID 18971638
2-(2-Oxoindol-6-yl)acetic acid
CID 53827360
3-(2-Oxoindol-5-yl)propanoic acid
CID 69088267
2-(4-Methyl-2-oxoindol-5-yl)propanoic acid
CID 69977474
3-(4-Methyl-2-oxoindol-5-yl)propanoic acid
CID 69977475
2-(5,7-Dimethyl-2-oxoindol-3-yl)acetic acid
CID 70813626
2,2-Dimethylindole-3-carboxylic acid
CID 89998947

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoindol-5-yl)propanoic acid?
The IUPAC name of 2-(2-oxoindol-5-yl)propanoic acid (CID 69088266) is 2-(2-oxoindol-5-yl)propanoic acid.
What is the SMILES notation for 2-(2-oxoindol-5-yl)propanoic acid?
The canonical SMILES for 2-(2-oxoindol-5-yl)propanoic acid is CC(C(=O)O)c1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 2-(2-oxoindol-5-yl)propanoic acid?
The InChIKey is WPUIGSSBVHZQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6(11(14)15)7-2-3-9-8(4-7)5-10(13)12-9/h2-6H,1H3,(H,14,15).
What are the key properties of 2-(2-oxoindol-5-yl)propanoic acid?
2-(2-oxoindol-5-yl)propanoic acid has a molecular weight of 203.20 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoindol-5-yl)propanoic acid is sourced from PubChem (CID 69088266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).