2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid

C17H24N2O4 — CID 83944715

IUPAC2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid
SMILESCCOc1cc2c(CCCN)cn(CC(=O)O)c2cc1OCC
InChIInChI=1S/C17H24N2O4/c1-3-22-15-8-13-12(6-5-7-18)10-19(11-17(20)21)14(13)9-16(15)23-4-2/h8-10H,3-7,11,18H2,1-2H3,(H,20,21)
InChIKeyOWYRZXPJKHOAMA-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.41
Rot. Bonds9

About 2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid

2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid (PubChem CID 83944715) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid
PubChem CID83944715
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid
SMILESCCOc1cc2c(CCCN)cn(CC(=O)O)c2cc1OCC
InChIInChI=1S/C17H24N2O4/c1-3-22-15-8-13-12(6-5-7-18)10-19(11-17(20)21)14(13)9-16(15)23-4-2/h8-10H,3-7,11,18H2,1-2H3,(H,20,21)
InChIKeyOWYRZXPJKHOAMA-UHFFFAOYSA-N
XLogP2.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid
CID 83944711
2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
CID 83948446
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
2-[3-(3-hydroxypropyl)-5,6-dimethoxyindol-1-yl]acetic acid
CID 83944581
2-[3-(3-aminopropyl)-6-chloroindol-1-yl]acetic acid
CID 83945236
2-(5,6-diethoxy-3-formylindol-1-yl)acetic acid
CID 83947517
3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol
CID 83944729
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol
CID 83944719

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid (CID 83944715) is 2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid is CCOc1cc2c(CCCN)cn(CC(=O)O)c2cc1OCC.
What is the InChIKey of 2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid?
The InChIKey is OWYRZXPJKHOAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-22-15-8-13-12(6-5-7-18)10-19(11-17(20)21)14(13)9-16(15)23-4-2/h8-10H,3-7,11,18H2,1-2H3,(H,20,21).
What are the key properties of 2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid?
2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid has a molecular weight of 320.39 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid is sourced from PubChem (CID 83944715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).