2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid

C14H15NO3 — CID 84728522

IUPAC2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid
SMILESCOc1ccc2[nH]c(C3CCC3)c(C(=O)O)c2c1
InChIInChI=1S/C14H15NO3/c1-18-9-5-6-11-10(7-9)12(14(16)17)13(15-11)8-3-2-4-8/h5-8,15H,2-4H2,1H3,(H,16,17)
InChIKeyPEFHKZZQZQENFU-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.14
Rot. Bonds3

About 2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid

2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid (PubChem CID 84728522) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid
PubChem CID84728522
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid
SMILESCOc1ccc2[nH]c(C3CCC3)c(C(=O)O)c2c1
InChIInChI=1S/C14H15NO3/c1-18-9-5-6-11-10(7-9)12(14(16)17)13(15-11)8-3-2-4-8/h5-8,15H,2-4H2,1H3,(H,16,17)
InChIKeyPEFHKZZQZQENFU-UHFFFAOYSA-N
XLogP3.14
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate
CID 101043058
2-[(3R)-7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 170699545
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
CID 164872491
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole
CID 84645185
2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091739
7-methoxy-12-methyl-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
CID 164872755

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid?
The IUPAC name of 2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid (CID 84728522) is 2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid.
What is the SMILES notation for 2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid?
The canonical SMILES for 2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid is COc1ccc2[nH]c(C3CCC3)c(C(=O)O)c2c1.
What is the InChIKey of 2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid?
The InChIKey is PEFHKZZQZQENFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-9-5-6-11-10(7-9)12(14(16)17)13(15-11)8-3-2-4-8/h5-8,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid?
2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid is sourced from PubChem (CID 84728522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).