3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid

C15H19NO3 — CID 138718173

IUPAC3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid
SMILESCCc1c(CCC(=O)O)n(C)c2ccc(OC)cc12
InChIInChI=1S/C15H19NO3/c1-4-11-12-9-10(19-3)5-6-14(12)16(2)13(11)7-8-15(17)18/h5-6,9H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyAMNJGTGTLIXGFQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.77
Rot. Bonds5

About 3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid

3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid (PubChem CID 138718173) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid
PubChem CID138718173
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid
SMILESCCc1c(CCC(=O)O)n(C)c2ccc(OC)cc12
InChIInChI=1S/C15H19NO3/c1-4-11-12-9-10(19-3)5-6-14(12)16(2)13(11)7-8-15(17)18/h5-6,9H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyAMNJGTGTLIXGFQ-UHFFFAOYSA-N
XLogP2.77
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
3-(5-methoxy-2-methyl-1-octadecylindol-3-yl)propanoic acid
CID 70340163
3-[1-(5-ethyl-1,3-dimethylpyrazol-4-yl)sulfonyl-5-methoxyindol-3-yl]propanoic acid
CID 143425025
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetic acid
CID 21191884
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
CID 19082416
6-[5-(5-carboxypentyl)-2,9-dimethoxy-7,14-dioxoquinolino[2,3-b]acridin-12-yl]hexanoic acid
CID 67023990
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
CID 83853725
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide
CID 10688272

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid?
The IUPAC name of 3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid (CID 138718173) is 3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid?
The canonical SMILES for 3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid is CCc1c(CCC(=O)O)n(C)c2ccc(OC)cc12.
What is the InChIKey of 3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid?
The InChIKey is AMNJGTGTLIXGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-11-12-9-10(19-3)5-6-14(12)16(2)13(11)7-8-15(17)18/h5-6,9H,4,7-8H2,1-3H3,(H,17,18).
What are the key properties of 3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid?
3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid is sourced from PubChem (CID 138718173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).