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

C12H16N2O2 — CID 63235664

IUPAC2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid
SMILESNCCC1CN(CC(=O)O)c2ccccc21
InChIInChI=1S/C12H16N2O2/c13-6-5-9-7-14(8-12(15)16)11-4-2-1-3-10(9)11/h1-4,9H,5-8,13H2,(H,15,16)
InChIKeyKTUZBRMROYGPNN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.02
Rot. Bonds4

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

2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid (PubChem CID 63235664) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid
PubChem CID63235664
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid
SMILESNCCC1CN(CC(=O)O)c2ccccc21
InChIInChI=1S/C12H16N2O2/c13-6-5-9-7-14(8-12(15)16)11-4-2-1-3-10(9)11/h1-4,9H,5-8,13H2,(H,15,16)
InChIKeyKTUZBRMROYGPNN-UHFFFAOYSA-N
XLogP1.02
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine
CID 63235614
propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate
CID 63235879
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid
CID 79619646
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide
CID 63236008
2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine
CID 66043826
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methylpropyl)acetamide
CID 63236015
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63235746
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 63235972
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide
CID 63236099
2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578328
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide
CID 63235838
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid
CID 63235661

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid (CID 63235664) is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid is NCCC1CN(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid?
The InChIKey is KTUZBRMROYGPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-6-5-9-7-14(8-12(15)16)11-4-2-1-3-10(9)11/h1-4,9H,5-8,13H2,(H,15,16).
What are the key properties of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid?
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid has a molecular weight of 220.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid is sourced from PubChem (CID 63235664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).