Basic information
- Standard SMILES
CCOC(=O)C=C(C)c1ccccc1CNC(=O)OC(C)(C)C- InChIKey
MQWOZWUDMCKWJF-UHFFFAOYSA-N- Molecular formula
- C18H25NO4
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- 3-[2-(tert-Butoxycarbonylamino-methyl)-phenyl]-but-2-enoic Acid Ethyl Ester
- IUPAC
- ethyl 3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]but-2-enoate
Names & synonyms
SCHEMBL4856909MQWOZWUDMCKWJF-UHFFFAOYSA-N3-[2-(tert-Butoxycarbonylamino-methyl)-phenyl]-but-2-enoic Acid Ethyl Ester3-[2-(tert-Butoxycarbonylarnino-methyl)-phenyl]-but-2-enoic acid ethyl ester
Database identifiers
- PubChem CID
- 69219191
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
Related reactions
3 records
Compound notes
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