3-(methoxymethyl)-1H-indole-2-carboxylic acid

C11H11NO3 — CID 54375862

IUPAC3-(methoxymethyl)-1H-indole-2-carboxylic acid
SMILESCOCc1c(C(=O)O)[nH]c2ccccc12
InChIInChI=1S/C11H11NO3/c1-15-6-8-7-4-2-3-5-9(7)12-10(8)11(13)14/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyUWLGTNQZAPIEOG-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.01
Rot. Bonds3

About 3-(methoxymethyl)-1H-indole-2-carboxylic acid

3-(methoxymethyl)-1H-indole-2-carboxylic acid (PubChem CID 54375862) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(methoxymethyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1H-indole-2-carboxylic acid
PubChem CID54375862
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(methoxymethyl)-1H-indole-2-carboxylic acid
SMILESCOCc1c(C(=O)O)[nH]c2ccccc12
InChIInChI=1S/C11H11NO3/c1-15-6-8-7-4-2-3-5-9(7)12-10(8)11(13)14/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyUWLGTNQZAPIEOG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethyl)-1H-indole-2-carboxylic acid;ethane
CID 90797708
3-[(sulfanylamino)methyl]-1H-indole-2-carboxylic acid
CID 130240605
ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate
CID 66789845
3-ethyl-4-sulfanylidene-1H-quinoline-2-carboxylic acid
CID 145301705
3-[2-(butan-2-ylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 3573688
3-[(octadecylamino)methyl]-1H-indole-2-carboxylic acid
CID 175447754
3-[[(4-methylbenzoyl)amino]methyl]-1H-indole-2-carboxylic acid
CID 141176793
3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 167891211
3-[2-(N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 4688441
3-pentoxy-1H-indole-2-carboxylic acid
CID 174363847
3-[2-(4-ethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 4688274
3-[[(4-chlorophenyl)methylamino]methyl]-1H-indole-2-carboxylic acid
CID 53207385

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1H-indole-2-carboxylic acid (CID 54375862) is 3-(methoxymethyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1H-indole-2-carboxylic acid is COCc1c(C(=O)O)[nH]c2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-1H-indole-2-carboxylic acid?
The InChIKey is UWLGTNQZAPIEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-6-8-7-4-2-3-5-9(7)12-10(8)11(13)14/h2-5,12H,6H2,1H3,(H,13,14).
What are the key properties of 3-(methoxymethyl)-1H-indole-2-carboxylic acid?
3-(methoxymethyl)-1H-indole-2-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-2-carboxylic acid is sourced from PubChem (CID 54375862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).