1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid

C14H15NO4 — CID 102911584

IUPAC1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid
SMILESCOC(=O)CCCn1ccc2cccc(C(=O)O)c21
InChIInChI=1S/C14H15NO4/c1-19-12(16)6-3-8-15-9-7-10-4-2-5-11(13(10)15)14(17)18/h2,4-5,7,9H,3,6,8H2,1H3,(H,17,18)
InChIKeyRJOLUWABJNWJAX-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.29
Rot. Bonds5

About 1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid

1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid (PubChem CID 102911584) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid
PubChem CID102911584
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid
SMILESCOC(=O)CCCn1ccc2cccc(C(=O)O)c21
InChIInChI=1S/C14H15NO4/c1-19-12(16)6-3-8-15-9-7-10-4-2-5-11(13(10)15)14(17)18/h2,4-5,7,9H,3,6,8H2,1H3,(H,17,18)
InChIKeyRJOLUWABJNWJAX-UHFFFAOYSA-N
XLogP2.29
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid
CID 103180658
methyl 4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanoate
CID 102914556
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-7-carboxylic acid
CID 70163739
methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate
CID 70935780
1-(2-ethylbutyl)indole-7-carboxylic acid
CID 82928947
1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid
CID 58306743
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
methyl 4-(4-bromoindol-1-yl)butanoate
CID 115351462
ethyl 6-(7-chloroindol-1-yl)hexanoate
CID 103474240
methyl 4-(2-acetylpyrrol-1-yl)butanoate
CID 79106595
6-(7-chloroindol-1-yl)hexan-3-one
CID 106801891
1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid
CID 58125316

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid?
The IUPAC name of 1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid (CID 102911584) is 1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid.
What is the SMILES notation for 1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid?
The canonical SMILES for 1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid is COC(=O)CCCn1ccc2cccc(C(=O)O)c21.
What is the InChIKey of 1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid?
The InChIKey is RJOLUWABJNWJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-19-12(16)6-3-8-15-9-7-10-4-2-5-11(13(10)15)14(17)18/h2,4-5,7,9H,3,6,8H2,1H3,(H,17,18).
What are the key properties of 1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid?
1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid is sourced from PubChem (CID 102911584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).