Basic information
- CAS
67044-05-7- Standard SMILES
CCOC(=O)CCNCc1ccc(OC)c(OC)c1- InChIKey
BEYOHIUUBRQWQF-UHFFFAOYSA-N- Molecular formula
- C14H21NO4
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.14705815
Names & identifiers
- Preferred name
- ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate
- IUPAC
- ethyl 3-[(3,4-dimethoxyphenyl)methylamino]propanoate
Names & synonyms
67044-05-73-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl esterethyl N-(3,4-dimethoxybenzyl)-beta-alaninateSCHEMBL6136228CHEMBL1620284BEYOHIUUBRQWQF-UHFFFAOYSA-NDTXSID601214713STK722680AKOS002125590Ethyl N-[(3,4-dimethoxyphenyl)methyl]-beta-alaninateN-[(3,4-Dimethoxyphenyl)methyl]-beta-alanine ethyl esterN-[(3,4-Dimethoxyphenyl)methyl]-I(2)-alanine ethyl ester
Show more names
ETHYL 3-{[(3,4-DIMETHOXYPHENYL)METHYL]AMINO}PROPANOATE
Database identifiers
- CAS
67044-05-7- PubChem CID
- 1908440
- DTXSID
DTXSID601214713- ChEMBL
CHEMBL1620284
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
Related reactions
4 records
Compound notes
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