Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccc(O)c(O)c1)C(=O)O- InChIKey
UJEMVSDPTZRTIL-UHFFFAOYSA-N- Molecular formula
- C14H19NO6
- Average molar mass
- 297.3 g/mol
Names & identifiers
- Preferred name
- 3-(3,4-dihydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid
- IUPAC
- 3-(3,4-dihydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Names & synonyms
Boc-3,4-Dihydroxyphenylalanine2-tert-Butoxycarbonylamino-3-(3,4-dihydroxy-phenyl)-propionic acid2-(tert-butoxycarbonylamino)-3-(3,4-dihydroxyphenyl)propanoic acid3-(3,4-dihydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic AcidSCHEMBL4786137UJEMVSDPTZRTIL-UHFFFAOYSA-NMFCD18264166AKOS010302645AS-6444F5220272-t-Butoxycarbonylamino-3-(3,4-dihydroxy-phenyl)-propionic acid2-((tert-Butoxycarbonyl)amino)-3-(3,4-dihydroxyphenyl)propanoic acid
Show more names
59686-55-4
Database identifiers
- PubChem CID
- 4588684
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
LogP-1.86
Related reactions
4 records
Compound notes
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