Ethyl 2-amino-3-(3,4-dimethoxyphenyl)propanoate

HCID 420232

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)C(N)Cc1ccc(OC)c(OC)c1
InChIKey: CKPXBRGEMOUHQJ-UHFFFAOYSA-N
Molecular formula: C13H19NO4
Average molar mass: 253.29 g/mol

Names & identifiers

Preferred name: Ethyl 2-amino-3-(3,4-dimethoxyphenyl)propanoate
IUPAC: ethyl 2-amino-3-(3,4-dimethoxyphenyl)propanoate

Names & synonyms

ethyl 2-amino-3-(3,4-dimethoxyphenyl)propanoate148806-54-6SCHEMBL3880742CKPXBRGEMOUHQJ-UHFFFAOYSA-NAKOS012259908CS-0116682EN300-24930855Ethyl 2-amino-3-(3,4-dimethoxyphenyl)propionate

Database identifiers

PubChem CID: 420232

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 70.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 259

Related reactions

8 records

New reaction record

HRID 146505As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 859937As reactantuspto-grants-2006_12

HRID 1122501As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1986586As reactantuspto-grants-2009_06

HRID 1986874As reactantuspto-grants-2009_06

HRID 1986882As reactantuspto-grants-2009_06

HRID 2140190As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2163113As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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