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Ethyl 2-amino-3-(4-methoxyphenyl)propanoate

HCID 413338
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)C(N)Cc1ccc(OC)cc1
InChIKey
GRDSNVUGGUKPKE-UHFFFAOYSA-N
Molecular formula
C12H17NO3
Average molar mass
223.27 g/mol

Names & identifiers

Preferred name
Ethyl 2-amino-3-(4-methoxyphenyl)propanoate
IUPAC
ethyl 2-amino-3-(4-methoxyphenyl)propanoate

Names & synonyms

ethyl 2-amino-3-(4-methoxyphenyl)propanoate55895-90-4Tyrosine, O-methyl-, ethyl esterSCHEMBL838803AKOS012259909EN300-1723261

Database identifiers

PubChem CID
413338

Properties

Computed structural propertiesFilling in

XLogP
0.8
Topological polar surface area
61.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
16
Formal charge
0
Complexity
212

Related reactions

2 records
New reaction record
HRID 102725 reaction equation
HRID 102725As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 830276 reaction equation
HRID 830276As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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