3-((Tert-butoxycarbonyl)amino)-4-(4-fluorophenyl)butanoic acid
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Basic information
- CAS
683219-73-0- Standard SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc(F)cc1- InChIKey
KEGMJLZICKHWIR-UHFFFAOYSA-N- Molecular formula
- C15H20FNO4
- Average molar mass
- 297.32 g/mol
- Monoisotopic mass
- 297.13763628
Names & identifiers
- Preferred name
- 3-((Tert-butoxycarbonyl)amino)-4-(4-fluorophenyl)butanoic acid
- IUPAC
- 4-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- English name
- 3-(Boc-amino)-4-(4-fluorophenyl)butyric Acid
- Molecular formula
- C15H20FNO4
- Molecular weight
- 297.33
Names & synonyms
683219-73-03-((tert-butoxycarbonyl)amino)-4-(4-fluorophenyl)butanoic acid3-(Boc-amino)-4-(4-fluorophenyl)butyric AcidMFCD030037833-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acidBoc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid3-[(TERT-BUTOXYCARBONYL)AMINO]-4-(4-FLUOROPHENYL)BUTANOIC ACID(S)-b-(Boc-amino)-4-fluorobenzenebutanoic acidBoc-beta-hophe(4-f)-ohBoc-b-HoPhe(4-F)-OHSCHEMBL4899560DTXSID801158278
Show more names
Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-4-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Boc-4-fluoro-D-b-homophenylalanineAC6612AKOS030253715Boc-4-fluoro-D-beta-homophenylalanineAB88628AB89452TS-7216SY224942
Database identifiers
- CAS
683219-73-0- PubChem CID
- 44890761
- DTXSID
DTXSID801158278
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Boiling point
- 449.3 · 449.3±40.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- pka
- 4.42 · 4.42±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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