3-(methoxymethyl)-1H-indole-5-carboxylic acid

C11H11NO3 — CID 117175321

IUPAC3-(methoxymethyl)-1H-indole-5-carboxylic acid
SMILESCOCc1c[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C11H11NO3/c1-15-6-8-5-12-10-3-2-7(11(13)14)4-9(8)10/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyOTEWLZAFBHUUKA-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.01
Rot. Bonds3

About 3-(methoxymethyl)-1H-indole-5-carboxylic acid

3-(methoxymethyl)-1H-indole-5-carboxylic acid (PubChem CID 117175321) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(methoxymethyl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1H-indole-5-carboxylic acid
PubChem CID117175321
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(methoxymethyl)-1H-indole-5-carboxylic acid
SMILESCOCc1c[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C11H11NO3/c1-15-6-8-5-12-10-3-2-7(11(13)14)4-9(8)10/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyOTEWLZAFBHUUKA-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(methoxymethyl)-1H-indole-5-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
3-(fluoromethyl)-1H-indole-5-carboxylic acid
CID 84664507
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
CID 19921669
3-(2-amino-2-carboxyethyl)-1H-indole-5-carboxylic acid
CID 22669189
4-bromo-3-(methoxymethyl)benzoic acid
CID 19771229
3-iodo-1H-indole-5-carboxylic acid
CID 50990518
3-(3-cyanopropyl)-1H-indole-5-carboxylic acid
CID 71661534
3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117178684
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936429
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
3-[(6-nitro-1H-indol-3-yl)methyl]-1H-indole-5-carboxylic acid
CID 166517326
3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 20806603

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1H-indole-5-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1H-indole-5-carboxylic acid (CID 117175321) is 3-(methoxymethyl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1H-indole-5-carboxylic acid is COCc1c[nH]c2ccc(C(=O)O)cc12.
What is the InChIKey of 3-(methoxymethyl)-1H-indole-5-carboxylic acid?
The InChIKey is OTEWLZAFBHUUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-6-8-5-12-10-3-2-7(11(13)14)4-9(8)10/h2-5,12H,6H2,1H3,(H,13,14).
What are the key properties of 3-(methoxymethyl)-1H-indole-5-carboxylic acid?
3-(methoxymethyl)-1H-indole-5-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 117175321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).