2-(7-hydroxy-2-oxoindol-3-yl)acetic acid

C10H7NO4 — CID 56624565

IUPAC2-(7-hydroxy-2-oxoindol-3-yl)acetic acid
SMILESO=C(O)CC1=c2cccc(O)c2=NC1=O
InChIInChI=1S/C10H7NO4/c12-7-3-1-2-5-6(4-8(13)14)10(15)11-9(5)7/h1-3,12H,4H2,(H,13,14)
InChIKeyNVXNGRCHJOXOFF-UHFFFAOYSA-N
MW205.17 g/mol
LogP-0.82
Rot. Bonds2

About 2-(7-hydroxy-2-oxoindol-3-yl)acetic acid

2-(7-hydroxy-2-oxoindol-3-yl)acetic acid (PubChem CID 56624565) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-(7-hydroxy-2-oxoindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxy-2-oxoindol-3-yl)acetic acid
PubChem CID56624565
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name2-(7-hydroxy-2-oxoindol-3-yl)acetic acid
SMILESO=C(O)CC1=c2cccc(O)c2=NC1=O
InChIInChI=1S/C10H7NO4/c12-7-3-1-2-5-6(4-8(13)14)10(15)11-9(5)7/h1-3,12H,4H2,(H,13,14)
InChIKeyNVXNGRCHJOXOFF-UHFFFAOYSA-N
XLogP-0.82
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-2-oxoindol-3-yl)acetic acid?
The IUPAC name of 2-(7-hydroxy-2-oxoindol-3-yl)acetic acid (CID 56624565) is 2-(7-hydroxy-2-oxoindol-3-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxy-2-oxoindol-3-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxy-2-oxoindol-3-yl)acetic acid is O=C(O)CC1=c2cccc(O)c2=NC1=O.
What is the InChIKey of 2-(7-hydroxy-2-oxoindol-3-yl)acetic acid?
The InChIKey is NVXNGRCHJOXOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-7-3-1-2-5-6(4-8(13)14)10(15)11-9(5)7/h1-3,12H,4H2,(H,13,14).
What are the key properties of 2-(7-hydroxy-2-oxoindol-3-yl)acetic acid?
2-(7-hydroxy-2-oxoindol-3-yl)acetic acid has a molecular weight of 205.17 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-2-oxoindol-3-yl)acetic acid is sourced from PubChem (CID 56624565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).