(S)-4-(3-Bromophenyl)-2-((tert-butoxycarbonyl)amino)butanoic acid
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Basic information
- CAS
1260614-40-1- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CCc1cccc(Br)c1)C(=O)O- InChIKey
DYWRPDTYCFIJBL-LBPRGKRZSA-N- Molecular formula
- C15H20BrNO4
- Average molar mass
- 358.23 g/mol
Names & identifiers
- Preferred name
- (S)-4-(3-Bromophenyl)-2-((tert-butoxycarbonyl)amino)butanoic acid
- IUPAC
- (2S)-4-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- English name
- (S)-4-(3-Bromo-phenyl)-2-tert-butoxycarbonylamino-butyric acid
- Molecular formula
- C15H20BrNO4
- Molecular weight
- 358.23
Names & synonyms
1260614-40-1(S)-4-(3-Bromophenyl)-2-((tert-butoxycarbonyl)amino)butanoic acidMFCD07372194(S)-2-(Boc-amino)-4-(3-bromophenyl)butanoic Acid(S)-4-(3-Bromo-phenyl)-2-tert-butoxycarbonylamino-butyric acidBenzenebutanoic acid, 3-bromo-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
Database identifiers
- CAS
1260614-40-1
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 486.7 · 486.7±40.0 °C(Predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Predicted)
- pka
- 3.95 · 3.95±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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