3-(1H-indol-3-yl)-2-oxopropanoic acid

C11H9NO3 — CID 803

IUPAC3-(1H-indol-3-yl)-2-oxopropanoic acid
SMILESO=C(O)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
InChIKeyRSTKLPZEZYGQPY-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.36
Rot. Bonds3

About 3-(1H-indol-3-yl)-2-oxopropanoic acid

3-(1H-indol-3-yl)-2-oxopropanoic acid (PubChem CID 803) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-oxopropanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-oxopropanoic acid
PubChem CID803
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-(1H-indol-3-yl)-2-oxopropanoic acid
SMILESO=C(O)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
InChIKeyRSTKLPZEZYGQPY-UHFFFAOYSA-N
XLogP1.36
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Indole-3-Butyric Acid
CID 8617
L-Tryptophan
CID 6305
Indole-3-Acetic Acid
CID 802
5-Hydroxyindoleacetic Acid
CID 1826
1H-Indole-3-propanoic acid
CID 3744
D-Tryptophan
CID 9060
Dl-Tryptophan
CID 1148
Indole-3-Carboxylic Acid
CID 69867
N-Acetyl-L-tryptophan
CID 700653
N-Acetyltryptophan
CID 2002
Indoximod
CID 405012
3-(Hydroxyacetyl)Indole
CID 200631

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-oxopropanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-oxopropanoic acid (CID 803) is 3-(1H-indol-3-yl)-2-oxopropanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-oxopropanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-oxopropanoic acid is O=C(O)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-2-oxopropanoic acid?
The InChIKey is RSTKLPZEZYGQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15).
What are the key properties of 3-(1H-indol-3-yl)-2-oxopropanoic acid?
3-(1H-indol-3-yl)-2-oxopropanoic acid has a molecular weight of 203.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-oxopropanoic acid is sourced from PubChem (CID 803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).