1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid

C14H15NO3 — CID 23073174

IUPAC1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)cn(CC3CC3)c2c1
InChIInChI=1S/C14H15NO3/c1-18-10-4-5-11-12(14(16)17)8-15(13(11)6-10)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyRULVJIRFTUCXIZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.76
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid

1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid (PubChem CID 23073174) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
PubChem CID23073174
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)cn(CC3CC3)c2c1
InChIInChI=1S/C14H15NO3/c1-18-10-4-5-11-12(14(16)17)8-15(13(11)6-10)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyRULVJIRFTUCXIZ-UHFFFAOYSA-N
XLogP2.76
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 82247783
6-methoxy-1-propylindole-3-carboxylic acid
CID 53418823
1-(cyclopropylmethyl)-6-fluoroindole-3-carboxylic acid
CID 23073204
1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid
CID 67030994
1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 155688328
1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 82250070
[1-(oxan-4-ylmethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-6-yl] hydrogen carbonate
CID 122436807
2-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylcarbamoyl)indol-6-yl]oxyacetic acid
CID 59513955
[6-bromo-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 69491353
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride
CID 67637530

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid (CID 23073174) is 1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid is COc1ccc2c(C(=O)O)cn(CC3CC3)c2c1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid?
The InChIKey is RULVJIRFTUCXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-10-4-5-11-12(14(16)17)8-15(13(11)6-10)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid?
1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid is sourced from PubChem (CID 23073174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).