3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid

C14H17NO3 — CID 84741857

IUPAC3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid
SMILESCOc1ccc(C)c2cc(CCC(=O)O)n(C)c12
InChIInChI=1S/C14H17NO3/c1-9-4-6-12(18-3)14-11(9)8-10(15(14)2)5-7-13(16)17/h4,6,8H,5,7H2,1-3H3,(H,16,17)
InChIKeyDOLAMJKXMRNRQF-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.51
Rot. Bonds4

About 3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid

3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid (PubChem CID 84741857) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid
PubChem CID84741857
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid
SMILESCOc1ccc(C)c2cc(CCC(=O)O)n(C)c12
InChIInChI=1S/C14H17NO3/c1-9-4-6-12(18-3)14-11(9)8-10(15(14)2)5-7-13(16)17/h4,6,8H,5,7H2,1-3H3,(H,16,17)
InChIKeyDOLAMJKXMRNRQF-UHFFFAOYSA-N
XLogP2.51
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid
CID 83859941
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169
3-(7-methoxy-1,3,5-trimethylindol-2-yl)propanoic acid
CID 82500848
4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid
CID 82500843
2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84634780
3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid
CID 117263418
3-(2,4,7-trimethylindol-1-yl)propanoic acid
CID 82495481
3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid
CID 82498482
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid
CID 167844333

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid?
The IUPAC name of 3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid (CID 84741857) is 3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid.
What is the SMILES notation for 3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid?
The canonical SMILES for 3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid is COc1ccc(C)c2cc(CCC(=O)O)n(C)c12.
What is the InChIKey of 3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid?
The InChIKey is DOLAMJKXMRNRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-4-6-12(18-3)14-11(9)8-10(15(14)2)5-7-13(16)17/h4,6,8H,5,7H2,1-3H3,(H,16,17).
What are the key properties of 3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid?
3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid is sourced from PubChem (CID 84741857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).