Benzyl 2-amino-3-(1H-indol-3-yl)propanoate (HCID 426818)

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Basic information

Standard SMILES: NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
InChIKey: TYQYRKDGHAPZRF-UHFFFAOYSA-N
Molecular formula: C18H18N2O2
Average molar mass: 294.3 g/mol
Monoisotopic mass: 294.13682782

Names & identifiers

Preferred name: Benzyl 2-amino-3-(1H-indol-3-yl)propanoate
IUPAC: benzyl 2-amino-3-(1H-indol-3-yl)propanoate

Names & synonyms

Tryptophane benzyl esterBenzyl 2-amino-3-(1H-indol-3-yl)propanoateSCHEMBL1167913CHEMBL3935514TYQYRKDGHAPZRF-UHFFFAOYSA-NBenzyl 2-amino-3-(1H-indol-3-yl)propanoate #

Database identifiers

PubChem CID: 426818
ChEMBL: CHEMBL3935514

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 68.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 368

Related reactions

3 records

New reaction record

HRID 1556264As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2157398As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2320963As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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