(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid
Basic information
- CAS
959582-84-4- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)O- InChIKey
DBNJIILYVLNZAN-RISCZKNCSA-N- Molecular formula
- C17H21Cl2NO4
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 373.0847635
Names & identifiers
- Preferred name
- (2S,4R)-1-(tert-Butoxycarbonyl)-4-(3,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4R)-4-[(3,4-dichlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
- English name
- (2S,4R)-1-(tert-butoxycarbonyl)-4-(3,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid
- Molecular formula
- C17H21Cl2NO4
- Molecular weight
- 374.26
Names & synonyms
959582-84-4(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3,4-dichlorobenzyl)pyrrolidine-2-carboxylic acidBoc-(R)-gamma-(3,4-dichloro-benzyl)-L-prolineMFCD06659422(2S,4R)-4-[(3,4-dichlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acidDTXSID60376036AKOS015949903(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3,4-dichlorobenzyl)pyrrolidine-2-carboxylicacid(2S,4R)-1-tert-butoxycarbonyl-4-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acidPS-12665F244237(4R)-1-(tert-Butoxycarbonyl)-4-[(3,4-dichlorophenyl)methyl]-L-proline
Show more names
(Tert-Butoxy)Carbonyl (R)-γ-(3,4-dichloro-benzyl)-L-ProN-(t-Butoxycarbonyl)-trans-4-(3,4-dichlorobenzyl)-L-prolineBoc-(2S,4R)-1-(tert-butoxycarbonyl)-4-(3,4-dichlorobenzyl)pyrrolidine-2-carboxylicacid(2S,4R)-1-[(tert-butoxy)carbonyl]-4-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid1,2-Pyrrolidinedicarboxylic acid, 4-[(3,4-dichlorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 496.7 · 496.7±45.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.94 · 3.94±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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