Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate
Basic information
- CAS
7460-39-1- Standard SMILES
CCOC(=O)CCN(Cc1ccco1)C(=O)OCC- InChIKey
SMICBNFMOZDODZ-UHFFFAOYSA-N- Molecular formula
- C13H19NO5
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.12632271
Names & identifiers
- Preferred name
- Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoate
- IUPAC
- ethyl 3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoate
Names & synonyms
7460-39-1NSC52859Ethyl 3-[(furan-2-ylmethyl)(ethoxycarbonyl)amino]propanoateSCHEMBL2838706DTXSID00996111SMICBNFMOZDODZ-UHFFFAOYSA-NNSC-52859Ethyl 3-[(furan-2-ylmethyl) (ethoxycarbonyl)amino]-propionateEthyl N-(ethoxycarbonyl)-N-[(furan-2-yl)methyl]-beta-alaninate
Database identifiers
- CAS
7460-39-1- PubChem CID
- 243303
- DTXSID
DTXSID00996111
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
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Related reactions
4 records
Compound notes
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