2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid

C11H14N2O2 — CID 89069978

IUPAC2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid
SMILESCC(C(=O)O)C1Cc2cc(N)ccc2N1
InChIInChI=1S/C11H14N2O2/c1-6(11(14)15)10-5-7-4-8(12)2-3-9(7)13-10/h2-4,6,10,13H,5,12H2,1H3,(H,14,15)
InChIKeyAZBLPQKXBGQZBG-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.33
Rot. Bonds2

About 2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid

2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid (PubChem CID 89069978) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid
PubChem CID89069978
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid
SMILESCC(C(=O)O)C1Cc2cc(N)ccc2N1
InChIInChI=1S/C11H14N2O2/c1-6(11(14)15)10-5-7-4-8(12)2-3-9(7)13-10/h2-4,6,10,13H,5,12H2,1H3,(H,14,15)
InChIKeyAZBLPQKXBGQZBG-UHFFFAOYSA-N
XLogP1.33
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The IUPAC name of 2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid (CID 89069978) is 2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The canonical SMILES for 2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid is CC(C(=O)O)C1Cc2cc(N)ccc2N1.
What is the InChIKey of 2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The InChIKey is AZBLPQKXBGQZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-6(11(14)15)10-5-7-4-8(12)2-3-9(7)13-10/h2-4,6,10,13H,5,12H2,1H3,(H,14,15).
What are the key properties of 2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid?
2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid has a molecular weight of 206.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 89069978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).