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

C13H15NO3 — CID 22570377

IUPAC3-(5-methoxy-2-methylindol-2-yl)propanoic acid
SMILESCOc1ccc2c(c1)=CC(C)(CCC(=O)O)N=2
InChIInChI=1S/C13H15NO3/c1-13(6-5-12(15)16)8-9-7-10(17-2)3-4-11(9)14-13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeySVCBHFVHDYXKNP-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.73
Rot. Bonds4

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

3-(5-methoxy-2-methylindol-2-yl)propanoic acid (PubChem CID 22570377) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(5-methoxy-2-methylindol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methoxy-2-methylindol-2-yl)propanoic acid
PubChem CID22570377
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(5-methoxy-2-methylindol-2-yl)propanoic acid
SMILESCOc1ccc2c(c1)=CC(C)(CCC(=O)O)N=2
InChIInChI=1S/C13H15NO3/c1-13(6-5-12(15)16)8-9-7-10(17-2)3-4-11(9)14-13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeySVCBHFVHDYXKNP-UHFFFAOYSA-N
XLogP0.73
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-methylindol-2-yl)propanoic acid?
The IUPAC name of 3-(5-methoxy-2-methylindol-2-yl)propanoic acid (CID 22570377) is 3-(5-methoxy-2-methylindol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-methoxy-2-methylindol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-methoxy-2-methylindol-2-yl)propanoic acid is COc1ccc2c(c1)=CC(C)(CCC(=O)O)N=2.
What is the InChIKey of 3-(5-methoxy-2-methylindol-2-yl)propanoic acid?
The InChIKey is SVCBHFVHDYXKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(6-5-12(15)16)8-9-7-10(17-2)3-4-11(9)14-13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 3-(5-methoxy-2-methylindol-2-yl)propanoic acid?
3-(5-methoxy-2-methylindol-2-yl)propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-methylindol-2-yl)propanoic acid is sourced from PubChem (CID 22570377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).