(2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-nitrobenzyl)pyrrolidine-2-carboxylic acid
Basic information
- CAS
959573-48-9- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)O- InChIKey
MPEJCVTWUUJXPQ-OCCSQVGLSA-N- Molecular formula
- C17H22N2O6
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.14778643
Names & identifiers
- Preferred name
- (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-nitrobenzyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
- English name
- (2S,4R)-1-(tert-butoxycarbonyl)-4-(4-nitrobenzyl)pyrrolidine-2-carboxylic acid
- Molecular formula
- C17H22N2O6
- Molecular weight
- 350.37
Names & synonyms
959573-48-9(2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-nitrobenzyl)pyrrolidine-2-carboxylic acidBoc-(R)-gamma-(4-nitro-benzyl)-L-prolineMFCD06659415(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acidDTXSID30376028(2S,4R)-1-[(tert-butoxy)carbonyl]-4-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acidAKOS015949831(2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-nitrobenzyl)pyrrolidine-2-carboxylicacidPS-12659F244273(4R)-1-(tert-Butoxycarbonyl)-4-[(4-nitrophenyl)methyl]-L-proline
Show more names
Boc-(R)-3-(4-nitro-benzyl)-L-proline(Tert-Butoxy)Carbonyl (R)-γ-(4-nitro-benzyl)-L-ProN-(t-Butoxycarbonyl)-trans-4-(4-nitrobenzyl)-L-prolineBoc-(2S,4R)-1-(tert-butoxycarbonyl)-4-(4-nitrobenzyl)pyrrolidine-2-carboxylicacid1,2-Pyrrolidinedicarboxylic acid, 4-[(4-nitrophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
(2S,4R)-1-tert-butoxycarbonyl-4-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Boiling point
- 523.5 · 523.5±40.0 °C(Predicted)
- Density
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.93 · 3.93±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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