3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid

C15H22N2O2 — CID 79619646

IUPAC3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CC(CCN)c2ccccc21)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-15(2,14(18)19)10-17-9-11(7-8-16)12-5-3-4-6-13(12)17/h3-6,11H,7-10,16H2,1-2H3,(H,18,19)
InChIKeyRSKQDSZASMPWBE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.05
Rot. Bonds5

About 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid

3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 79619646) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid
PubChem CID79619646
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CC(CCN)c2ccccc21)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-15(2,14(18)19)10-17-9-11(7-8-16)12-5-3-4-6-13(12)17/h3-6,11H,7-10,16H2,1-2H3,(H,18,19)
InChIKeyRSKQDSZASMPWBE-UHFFFAOYSA-N
XLogP2.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid (CID 79619646) is 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid is CC(C)(CN1CC(CCN)c2ccccc21)C(=O)O.
What is the InChIKey of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is RSKQDSZASMPWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,14(18)19)10-17-9-11(7-8-16)12-5-3-4-6-13(12)17/h3-6,11H,7-10,16H2,1-2H3,(H,18,19).
What are the key properties of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid?
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79619646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).