2-[(2S)-azetidin-2-yl]-1H-indol-5-amine

C11H13N3 — CID 55272809

IUPAC2-[(2S)-azetidin-2-yl]-1H-indol-5-amine
SMILESNc1ccc2[nH]c([C@@H]3CCN3)cc2c1
InChIInChI=1S/C11H13N3/c12-8-1-2-9-7(5-8)6-11(14-9)10-3-4-13-10/h1-2,5-6,10,13-14H,3-4,12H2/t10-/m0/s1
InChIKeyMQQURTKZQKFLIG-JTQLQIEISA-N
MW187.25 g/mol
LogP1.78
Rot. Bonds1

About 2-[(2S)-azetidin-2-yl]-1H-indol-5-amine

2-[(2S)-azetidin-2-yl]-1H-indol-5-amine (PubChem CID 55272809) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]-1H-indol-5-amine.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]-1H-indol-5-amine
PubChem CID55272809
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-[(2S)-azetidin-2-yl]-1H-indol-5-amine
SMILESNc1ccc2[nH]c([C@@H]3CCN3)cc2c1
InChIInChI=1S/C11H13N3/c12-8-1-2-9-7(5-8)6-11(14-9)10-3-4-13-10/h1-2,5-6,10,13-14H,3-4,12H2/t10-/m0/s1
InChIKeyMQQURTKZQKFLIG-JTQLQIEISA-N
XLogP1.78
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2S)-azetidin-2-yl]-1H-indol-5-amine 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-[(2S)-azetidin-2-yl]-1H-indol-5-amine?
The IUPAC name of 2-[(2S)-azetidin-2-yl]-1H-indol-5-amine (CID 55272809) is 2-[(2S)-azetidin-2-yl]-1H-indol-5-amine.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]-1H-indol-5-amine?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]-1H-indol-5-amine is Nc1ccc2[nH]c([C@@H]3CCN3)cc2c1.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]-1H-indol-5-amine?
The InChIKey is MQQURTKZQKFLIG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13N3/c12-8-1-2-9-7(5-8)6-11(14-9)10-3-4-13-10/h1-2,5-6,10,13-14H,3-4,12H2/t10-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]-1H-indol-5-amine?
2-[(2S)-azetidin-2-yl]-1H-indol-5-amine has a molecular weight of 187.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]-1H-indol-5-amine is sourced from PubChem (CID 55272809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).