2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid

C15H20N2O2 — CID 83945028

IUPAC2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid
SMILESCC(C)c1ccc2c(c1)c(CCN)cn2CC(=O)O
InChIInChI=1S/C15H20N2O2/c1-10(2)11-3-4-14-13(7-11)12(5-6-16)8-17(14)9-15(18)19/h3-4,7-8,10H,5-6,9,16H2,1-2H3,(H,18,19)
InChIKeyAGQBXPLISICDIF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.35
Rot. Bonds5

About 2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid

2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid (PubChem CID 83945028) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid
PubChem CID83945028
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid
SMILESCC(C)c1ccc2c(c1)c(CCN)cn2CC(=O)O
InChIInChI=1S/C15H20N2O2/c1-10(2)11-3-4-14-13(7-11)12(5-6-16)8-17(14)9-15(18)19/h3-4,7-8,10H,5-6,9,16H2,1-2H3,(H,18,19)
InChIKeyAGQBXPLISICDIF-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine
CID 83948594
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
2-[3-(2-aminoethyl)-5-methylindol-1-yl]acetamide;hydrochloride
CID 155858615
3-(2-aminoethyl)-1-ethyl-5-propan-2-ylindole-7-carboxylic acid
CID 83946225
3-(2-aminoethyl)-1-(2-hydroxyethyl)-5-propan-2-ylindole-7-carboxylic acid
CID 83946236
2-(5-tert-butyl-3-ethylindol-1-yl)acetic acid
CID 83945073
oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
CID 21071579
2-[3-(3-aminopropyl)-6-chloroindol-1-yl]acetic acid
CID 83945236
2-[5-bromo-3-(3-hydroxypropyl)indol-1-yl]acetic acid
CID 83946733
3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid
CID 83963355
methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate
CID 83944998
2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid
CID 58499284

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid (CID 83945028) is 2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid is CC(C)c1ccc2c(c1)c(CCN)cn2CC(=O)O.
What is the InChIKey of 2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid?
The InChIKey is AGQBXPLISICDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)11-3-4-14-13(7-11)12(5-6-16)8-17(14)9-15(18)19/h3-4,7-8,10H,5-6,9,16H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid?
2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid has a molecular weight of 260.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid is sourced from PubChem (CID 83945028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).