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

C15H20N2O4 — CID 83944609

IUPAC2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
SMILESCOc1cc2c(CC(=O)O)cn(CCCN)c2cc1OC
InChIInChI=1S/C15H20N2O4/c1-20-13-7-11-10(6-15(18)19)9-17(5-3-4-16)12(11)8-14(13)21-2/h7-9H,3-6,16H2,1-2H3,(H,18,19)
InChIKeyKEAACJZDLRKDQR-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.63
Rot. Bonds7

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

2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid (PubChem CID 83944609) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
PubChem CID83944609
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
SMILESCOc1cc2c(CC(=O)O)cn(CCCN)c2cc1OC
InChIInChI=1S/C15H20N2O4/c1-20-13-7-11-10(6-15(18)19)9-17(5-3-4-16)12(11)8-14(13)21-2/h7-9H,3-6,16H2,1-2H3,(H,18,19)
InChIKeyKEAACJZDLRKDQR-UHFFFAOYSA-N
XLogP1.63
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid
CID 83944371
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570
3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
CID 83948348
2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid
CID 83944375
3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
CID 83948898
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
2-[3-(3-hydroxypropyl)-5,6-dimethoxyindol-1-yl]acetic acid
CID 83944581
2-(5,6-dimethoxy-1-propan-2-ylindol-3-yl)acetic acid
CID 83944589
3-(3-ethyl-5,6-dimethylindol-1-yl)propan-1-amine
CID 83948289
1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylic acid
CID 83947486

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid (CID 83944609) is 2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid is COc1cc2c(CC(=O)O)cn(CCCN)c2cc1OC.
What is the InChIKey of 2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid?
The InChIKey is KEAACJZDLRKDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-13-7-11-10(6-15(18)19)9-17(5-3-4-16)12(11)8-14(13)21-2/h7-9H,3-6,16H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid?
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid is sourced from PubChem (CID 83944609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).