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

C11H11NO3 — CID 18986

IUPAC2-(5-methoxy-1H-indol-3-yl)acetic acid
SMILESCOc1ccc2[nH]cc(CC(=O)O)c2c1
InChIInChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChIKeyCOCNDHOPIHDTHK-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.80
Rot. Bonds3

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

2-(5-methoxy-1H-indol-3-yl)acetic acid (PubChem CID 18986) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)acetic acid
PubChem CID18986
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(5-methoxy-1H-indol-3-yl)acetic acid
SMILESCOc1ccc2[nH]cc(CC(=O)O)c2c1
InChIInChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChIKeyCOCNDHOPIHDTHK-UHFFFAOYSA-N
XLogP1.80
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5-methoxy-1H-indol-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)acetic acid (CID 18986) is 2-(5-methoxy-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)acetic acid is COc1ccc2[nH]cc(CC(=O)O)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)acetic acid?
The InChIKey is COCNDHOPIHDTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)acetic acid?
2-(5-methoxy-1H-indol-3-yl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 18986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).