Ethyl 2-amino-3-(5-bromo-1H-indol-3-YL)propanoate

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Basic information

Standard SMILES: CCOC(=O)C(N)Cc1c[nH]c2ccc(Br)cc12
InChIKey: SFZGEFLYBJGMPV-UHFFFAOYSA-N
Molecular formula: C13H15BrN2O2
Average molar mass: 311.17 g/mol
Monoisotopic mass: 310.03169

Names & identifiers

Preferred name: Ethyl 2-amino-3-(5-bromo-1H-indol-3-YL)propanoate
IUPAC: ethyl 2-amino-3-(5-bromo-1H-indol-3-yl)propanoate

Names & synonyms

133766-36-6ETHYL 2-AMINO-3-(5-BROMO-1H-INDOL-3-YL)PROPANOATESCHEMBL3853949SFZGEFLYBJGMPV-UHFFFAOYSA-NEN300-77802ETHYL2-AMINO-3-(5-BROMO-1H-INDOL-3-YL)PROPANOATE2-amino-3-(5-bromo-1H-indol-3-yl)-propionic acid ethyl ester

Database identifiers

PubChem CID: 14828752

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 68.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 301

Related reactions

4 records

New reaction record

HRID 1141436As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2104213As productuspto-grants-2009_08

HRID 2104214As reactantuspto-grants-2009_08

HRID 2149844As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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