2-(5-hydroxy-1H-indol-3-yl)acetic acid

C10H9NO3 — CID 1826

IUPAC2-(5-hydroxy-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
InChIKeyDUUGKQCEGZLZNO-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.50
Rot. Bonds2

About 2-(5-hydroxy-1H-indol-3-yl)acetic acid

2-(5-hydroxy-1H-indol-3-yl)acetic acid (PubChem CID 1826) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(5-hydroxy-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-hydroxy-1H-indol-3-yl)acetic acid
PubChem CID1826
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-(5-hydroxy-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
InChIKeyDUUGKQCEGZLZNO-UHFFFAOYSA-N
XLogP1.50
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)acetic acid (CID 1826) is 2-(5-hydroxy-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-hydroxy-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(5-hydroxy-1H-indol-3-yl)acetic acid is O=C(O)Cc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 2-(5-hydroxy-1H-indol-3-yl)acetic acid?
The InChIKey is DUUGKQCEGZLZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14).
What are the key properties of 2-(5-hydroxy-1H-indol-3-yl)acetic acid?
2-(5-hydroxy-1H-indol-3-yl)acetic acid has a molecular weight of 191.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 1826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).