(S)-3-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid
Basic information
- CAS
500770-83-2- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccccc1[N+](=O)[O-]- InChIKey
SAVFDQXYVJSWEN-JTQLQIEISA-N- Molecular formula
- C14H18N2O6
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.1164863
Names & identifiers
- Preferred name
- (S)-3-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid
- IUPAC
- (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic acid
- English name
- Boc-(S)-3-amino-3-(2-nitro-phenyl)-propionic acid
- Molecular formula
- C14H18N2O6
- Molecular weight
- 310.3
Names & synonyms
500770-83-2(S)-3-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acidBoc-(S)-3-Amino-3-(2-nitro-phenyl)-propionic acidMFCD03427931(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic acid(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2-nitrophenyl)propanoic acidDTXSID10426616(S)-Boc-beta-Phe(2-NO2)-OH(3S)-3-[(tert-Butoxycarbonyl)amino]-3-(2-nitrophenyl)propanoic acidAKOS016843817AC-25401PS-12455
Show more names
Boc-b-Phe(2-NO2)-OHRARECHEM LK TC T331Boc-β-Phe(2-NO2)-OHBOC-BETA-PHE(2-NO2)-OHBOC-D-PHG(2-NO2)-(C*CH2)OHN-Boc-L-3-Amino-3-(2-nitrophenyl)propanoic acidBOC-(S)-3-AMINO-3-(2-NITRO-PHENYL)-PROPANOIC ACIDN-β-(t-Butoxycarbonyl)-2-nitro-D-β-homophenylglycine
SY255910C15866EN300-1162706(S)-3-(Boc-amino)-3-(2-nitrophenyl)propanoic Acid(3S)-3-(tert-butoxycarbonylamino)-3-(2-nitrophenyl)propanoic acid
Database identifiers
- CAS
500770-83-2- PubChem CID
- 7010281
- DTXSID
DTXSID10426616
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…