2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid

C10H9NO4 — CID 67868265

IUPAC2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid
SMILESO=C(O)Cc1ccc(O)c2c1NC(=O)C2
InChIInChI=1S/C10H9NO4/c12-7-2-1-5(3-9(14)15)10-6(7)4-8(13)11-10/h1-2,12H,3-4H2,(H,11,13)(H,14,15)
InChIKeyLIPJZAVWGGRIKK-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.51
Rot. Bonds2

About 2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid

2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid (PubChem CID 67868265) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid
PubChem CID67868265
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Name2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid
SMILESO=C(O)Cc1ccc(O)c2c1NC(=O)C2
InChIInChI=1S/C10H9NO4/c12-7-2-1-5(3-9(14)15)10-6(7)4-8(13)11-10/h1-2,12H,3-4H2,(H,11,13)(H,14,15)
InChIKeyLIPJZAVWGGRIKK-UHFFFAOYSA-N
XLogP0.51
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid (CID 67868265) is 2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid is O=C(O)Cc1ccc(O)c2c1NC(=O)C2.
What is the InChIKey of 2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid?
The InChIKey is LIPJZAVWGGRIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c12-7-2-1-5(3-9(14)15)10-6(7)4-8(13)11-10/h1-2,12H,3-4H2,(H,11,13)(H,14,15).
What are the key properties of 2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid?
2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid has a molecular weight of 207.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxo-1,3-dihydroindol-7-yl)acetic acid is sourced from PubChem (CID 67868265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).