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

C15H20N2O2 — CID 83944371

IUPAC2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid
SMILESCc1cc2c(CC(=O)O)cn(CCCN)c2cc1C
InChIInChI=1S/C15H20N2O2/c1-10-6-13-12(8-15(18)19)9-17(5-3-4-16)14(13)7-11(10)2/h6-7,9H,3-5,8,16H2,1-2H3,(H,18,19)
InChIKeyZWUSGOAMGFLUKQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.23
Rot. Bonds5

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

2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid (PubChem CID 83944371) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid
PubChem CID83944371
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid
SMILESCc1cc2c(CC(=O)O)cn(CCCN)c2cc1C
InChIInChI=1S/C15H20N2O2/c1-10-6-13-12(8-15(18)19)9-17(5-3-4-16)14(13)7-11(10)2/h6-7,9H,3-5,8,16H2,1-2H3,(H,18,19)
InChIKeyZWUSGOAMGFLUKQ-UHFFFAOYSA-N
XLogP2.23
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid
CID 83944375
3-(3-ethyl-5,6-dimethylindol-1-yl)propan-1-amine
CID 83948289
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609
3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
CID 83963394
1-(3-aminopropyl)-5-methyl-3-propan-2-ylindole-6-carboxylic acid
CID 83963567
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid
CID 83963355
3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
CID 83948348
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine
CID 83948422
3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol
CID 83944350

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid (CID 83944371) is 2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid is Cc1cc2c(CC(=O)O)cn(CCCN)c2cc1C.
What is the InChIKey of 2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid?
The InChIKey is ZWUSGOAMGFLUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-6-13-12(8-15(18)19)9-17(5-3-4-16)14(13)7-11(10)2/h6-7,9H,3-5,8,16H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid?
2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid has a molecular weight of 260.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid is sourced from PubChem (CID 83944371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).