Basic information
- Standard SMILES
C=C(C(=O)OC)c1cccc(CNC(=O)OC(C)(C)C)c1- InChIKey
FKZHHLXEXOQZEG-UHFFFAOYSA-N- Molecular formula
- C16H21NO4
- Average molar mass
- 291.34 g/mol
- Monoisotopic mass
- 291.14705815
Names & identifiers
- Preferred name
- 2-(3-(t-Butoxycarbonylamino)methylphenyl)-propenoic acid methyl ester
- IUPAC
- methyl 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]prop-2-enoate
Names & synonyms
SCHEMBL2353182FKZHHLXEXOQZEG-UHFFFAOYSA-N2-(3-(t-butoxycarbonylamino)methylphenyl)-propenoic acid methyl ester
Database identifiers
- PubChem CID
- 67375101
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 398
Related reactions
3 records
Compound notes
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