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

C10H9NO2 — CID 802

IUPAC2-(1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
InChIKeySEOVTRFCIGRIMH-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.79
Rot. Bonds2

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

2-(1H-indol-3-yl)acetic acid (PubChem CID 802) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1H-indol-3-yl)acetic acid
PubChem CID802
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-(1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
InChIKeySEOVTRFCIGRIMH-UHFFFAOYSA-N
XLogP1.79
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indole-3-Butyric Acid
CID 8617
Oxitriptan
CID 439280
L-Tryptophan
CID 6305
5-Hydroxyindoleacetic Acid
CID 1826
1H-Indole-3-propanoic acid
CID 3744
(+-)-5-Hydroxytryptophan
CID 144
Dl-Tryptophan
CID 1148
D-Tryptophan
CID 9060
Tryptophol
CID 10685
N-Acetyl-L-tryptophan
CID 700653
5-Methoxyindoleacetic acid
CID 18986
Indole-3-pyruvic acid
CID 803

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(1H-indol-3-yl)acetic acid (CID 802) is 2-(1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(1H-indol-3-yl)acetic acid is O=C(O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)acetic acid?
The InChIKey is SEOVTRFCIGRIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13).
What are the key properties of 2-(1H-indol-3-yl)acetic acid?
2-(1H-indol-3-yl)acetic acid has a molecular weight of 175.19 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)acetic acid is sourced from PubChem (CID 802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).