2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid

C10H9NO4 — CID 10488522

IUPAC2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
SMILESO=C(O)CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13)
InChIKeyMHLHEINWUCSPTL-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.30
Rot. Bonds2

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

2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid (PubChem CID 10488522) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
PubChem CID10488522
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
SMILESO=C(O)CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13)
InChIKeyMHLHEINWUCSPTL-UHFFFAOYSA-N
XLogP0.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid (CID 10488522) is 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid is O=C(O)CC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid?
The InChIKey is MHLHEINWUCSPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13).
What are the key properties of 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid?
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid has a molecular weight of 207.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 10488522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).