2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid

C11H14N2O2 — CID 164660426

IUPAC2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid
SMILESNCCN1Cc2cccc(C(=O)O)c2C1
InChIInChI=1S/C11H14N2O2/c12-4-5-13-6-8-2-1-3-9(11(14)15)10(8)7-13/h1-3H,4-7,12H2,(H,14,15)
InChIKeyUHPJXTGDSJNTNY-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.66
Rot. Bonds3

About 2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid

2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid (PubChem CID 164660426) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid
PubChem CID164660426
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid
SMILESNCCN1Cc2cccc(C(=O)O)c2C1
InChIInChI=1S/C11H14N2O2/c12-4-5-13-6-8-2-1-3-9(11(14)15)10(8)7-13/h1-3H,4-7,12H2,(H,14,15)
InChIKeyUHPJXTGDSJNTNY-UHFFFAOYSA-N
XLogP0.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559327
2-heptyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559333
2-(5-aminopentanoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559030
2-(3-hydroxy-3-methylbutyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559322
2-[(2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559625
2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,3-dihydroisoindole-4-carboxylic acid
CID 167799175
2-(2-ethylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 113473925
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581881
2-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279835
9,10-dihydroanthracene-1,5-dicarboxylic acid
CID 69239993
2-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,3-dihydroisoindole-4-carboxylic acid
CID 166287821
2-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindole-4-carboxylic acid
CID 166287839

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid?
The IUPAC name of 2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid (CID 164660426) is 2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid?
The canonical SMILES for 2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid is NCCN1Cc2cccc(C(=O)O)c2C1.
What is the InChIKey of 2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid?
The InChIKey is UHPJXTGDSJNTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-4-5-13-6-8-2-1-3-9(11(14)15)10(8)7-13/h1-3H,4-7,12H2,(H,14,15).
What are the key properties of 2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid?
2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid is sourced from PubChem (CID 164660426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).