Methyl 2-tert-butoxycarbonylamino-3-(2-hydroxy-4-methoxyphenyl)-propanoate
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Basic information
- Standard SMILES
COC(=O)C(Cc1ccc(OC)cc1O)NC(=O)OC(C)(C)C- InChIKey
NEBYRAXMNWNRMO-UHFFFAOYSA-N- Molecular formula
- C16H23NO6
- Average molar mass
- 325.36 g/mol
Names & identifiers
- Preferred name
- Methyl 2-tert-butoxycarbonylamino-3-(2-hydroxy-4-methoxyphenyl)-propanoate
- IUPAC
- methyl 3-(2-hydroxy-4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Names & synonyms
NSC705164SCHEMBL1311455CHEMBL1989513NEBYRAXMNWNRMO-UHFFFAOYSA-NNSC-705164NCI60_037575methyl 2-tert-butoxycarbonylamino-3-(2-hydroxy-4-methoxyphenyl)-propanoate
Database identifiers
- PubChem CID
- 397418
- ChEMBL
CHEMBL1989513
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
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Related reactions
2 records
Compound notes
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