1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid

C15H17NO3 — CID 82665632

IUPAC1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid
SMILESCOc1cccc2c(C)c(C3(C(=O)O)CCC3)[nH]c12
InChIInChI=1S/C15H17NO3/c1-9-10-5-3-6-11(19-2)12(10)16-13(9)15(14(17)18)7-4-8-15/h3,5-6,16H,4,7-8H2,1-2H3,(H,17,18)
InChIKeyUCVIAMQVQGJBSV-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.99
Rot. Bonds3

About 1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid

1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid (PubChem CID 82665632) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid
PubChem CID82665632
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid
SMILESCOc1cccc2c(C)c(C3(C(=O)O)CCC3)[nH]c12
InChIInChI=1S/C15H17NO3/c1-9-10-5-3-6-11(19-2)12(10)16-13(9)15(14(17)18)7-4-8-15/h3,5-6,16H,4,7-8H2,1-2H3,(H,17,18)
InChIKeyUCVIAMQVQGJBSV-UHFFFAOYSA-N
XLogP2.99
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclopentan-1-amine
CID 82664836
1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 84787409
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
1-(1-hydroxy-5-methoxynaphthalen-2-yl)cyclobutane-1-carboxylic acid
CID 117433459
1-(3-methoxy-2-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 117428983
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410189
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2,3-dimethoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117379031
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117348893
1-[2-(difluoromethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117393640

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid (CID 82665632) is 1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid is COc1cccc2c(C)c(C3(C(=O)O)CCC3)[nH]c12.
What is the InChIKey of 1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid?
The InChIKey is UCVIAMQVQGJBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-10-5-3-6-11(19-2)12(10)16-13(9)15(14(17)18)7-4-8-15/h3,5-6,16H,4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid?
1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 82665632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).