Methyl 3-[(tert-butoxycarbonyl)amino]-2-phenylpropanoate
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Basic information
- Standard SMILES
COC(=O)C(CNC(=O)OC(C)(C)C)c1ccccc1- InChIKey
MNHDKTJTZQRLHL-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- Methyl 3-[(tert-butoxycarbonyl)amino]-2-phenylpropanoate
- IUPAC
- methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
Names & synonyms
SCHEMBL6531538MNHDKTJTZQRLHL-UHFFFAOYSA-NDB-199710Tert-butyl 2-(methoxycarbonyl)-2-phenylethylcarbamateMethyl 3-[(tert-butoxycarbonyl)amino]-2-phenylpropanoate1211383-27-5
Database identifiers
- PubChem CID
- 69815399
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Related reactions
2 records
Compound notes
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