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

C11H9NO4 — CID 90973534

IUPAC3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid
SMILESO=C(O)C(=O)Cc1c(O)[nH]c2ccccc12
InChIInChI=1S/C11H9NO4/c13-9(11(15)16)5-7-6-3-1-2-4-8(6)12-10(7)14/h1-4,12,14H,5H2,(H,15,16)
InChIKeyKJDCFRQYTHMEEL-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.07
Rot. Bonds3

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

3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid (PubChem CID 90973534) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid
PubChem CID90973534
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid
SMILESO=C(O)C(=O)Cc1c(O)[nH]c2ccccc12
InChIInChI=1S/C11H9NO4/c13-9(11(15)16)5-7-6-3-1-2-4-8(6)12-10(7)14/h1-4,12,14H,5H2,(H,15,16)
InChIKeyKJDCFRQYTHMEEL-UHFFFAOYSA-N
XLogP1.07
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol
CID 11959861
CID 87710053
CID 87710053
3-prop-2-enyl-1H-indol-2-ol
CID 141031189
2-(2-fluoro-1H-indol-3-yl)acetic acid
CID 22642493
2-(2-iodo-1H-indol-3-yl)acetic acid
CID 22642492
9H-carbazole;carbonic acid
CID 67577328
2-[2-(2-methylpropanoyl)-1H-indol-3-yl]acetic acid
CID 54857086
1-(2-phenyl-1H-indol-3-yl)propan-2-one
CID 83780172
2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 70573715
1-(2-hydroxy-1H-indol-3-yl)propan-1-one
CID 15650287
methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate
CID 141481995
9H-carbazole;propanoic acid
CID 68841226

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid?
The IUPAC name of 3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid (CID 90973534) is 3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid.
What is the SMILES notation for 3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid?
The canonical SMILES for 3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid is O=C(O)C(=O)Cc1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid?
The InChIKey is KJDCFRQYTHMEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-9(11(15)16)5-7-6-3-1-2-4-8(6)12-10(7)14/h1-4,12,14H,5H2,(H,15,16).
What are the key properties of 3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid?
3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid has a molecular weight of 219.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid is sourced from PubChem (CID 90973534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).