2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid

C15H17NO3 — CID 117401757

IUPAC2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid
SMILESCOc1cc2ccn(C)c2cc1C1(CC(=O)O)CC1
InChIInChI=1S/C15H17NO3/c1-16-6-3-10-7-13(19-2)11(8-12(10)16)15(4-5-15)9-14(17)18/h3,6-8H,4-5,9H2,1-2H3,(H,17,18)
InChIKeyGLWHYUQYMLXOPE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.69
Rot. Bonds4

About 2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid

2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid (PubChem CID 117401757) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid
PubChem CID117401757
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid
SMILESCOc1cc2ccn(C)c2cc1C1(CC(=O)O)CC1
InChIInChI=1S/C15H17NO3/c1-16-6-3-10-7-13(19-2)11(8-12(10)16)15(4-5-15)9-14(17)18/h3,6-8H,4-5,9H2,1-2H3,(H,17,18)
InChIKeyGLWHYUQYMLXOPE-UHFFFAOYSA-N
XLogP2.69
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid (CID 117401757) is 2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid is COc1cc2ccn(C)c2cc1C1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid?
The InChIKey is GLWHYUQYMLXOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16-6-3-10-7-13(19-2)11(8-12(10)16)15(4-5-15)9-14(17)18/h3,6-8H,4-5,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid?
2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117401757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).