1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid

C17H20N2O3 — CID 67030994

IUPAC1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)cn(CC34CCN(CC3)C4)c2c1
InChIInChI=1S/C17H20N2O3/c1-22-12-2-3-13-14(16(20)21)9-19(15(13)8-12)11-17-4-6-18(10-17)7-5-17/h2-3,8-9H,4-7,10-11H2,1H3,(H,20,21)
InChIKeyIFLAJEZDQUVYLL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.44
Rot. Bonds4

About 1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid

1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid (PubChem CID 67030994) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid
PubChem CID67030994
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)cn(CC34CCN(CC3)C4)c2c1
InChIInChI=1S/C17H20N2O3/c1-22-12-2-3-13-14(16(20)21)9-19(15(13)8-12)11-17-4-6-18(10-17)7-5-17/h2-3,8-9H,4-7,10-11H2,1H3,(H,20,21)
InChIKeyIFLAJEZDQUVYLL-UHFFFAOYSA-N
XLogP2.44
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid with MolForge

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Related Compounds

6-methoxy-1-propylindole-3-carboxylic acid
CID 53418823
1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174
1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate
CID 25234507
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 82247783
2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid
CID 175255452
[1-(6-hydroxyhexyl)-6-methoxyindol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 45270426
2-[6-methoxy-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947673
2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
CID 117122339
2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid
CID 117122340
1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylic acid
CID 83947486

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid?
The IUPAC name of 1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid (CID 67030994) is 1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid.
What is the SMILES notation for 1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid?
The canonical SMILES for 1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid is COc1ccc2c(C(=O)O)cn(CC34CCN(CC3)C4)c2c1.
What is the InChIKey of 1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid?
The InChIKey is IFLAJEZDQUVYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-22-12-2-3-13-14(16(20)21)9-19(15(13)8-12)11-17-4-6-18(10-17)7-5-17/h2-3,8-9H,4-7,10-11H2,1H3,(H,20,21).
What are the key properties of 1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid?
1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid is sourced from PubChem (CID 67030994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).