(4R)-1-N-Boc-4-Benzyl-D-proline
Basic information
- CAS
158459-13-3- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2)C[C@@H]1C(=O)O- InChIKey
JPNHKKRLLDYCIZ-ZIAGYGMSSA-N- Molecular formula
- C17H23NO4
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.16270821
Names & identifiers
- Preferred name
- (4R)-1-N-Boc-4-Benzyl-D-proline
- IUPAC
- (2R,4R)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
- English name
- (4R)-1-N-Boc-4-benzyl-D-proline
- Molecular formula
- C17H23NO4
- Molecular weight
- 305.37
Names & synonyms
(4R)-1-N-Boc-4-Benzyl-D-proline158459-13-3MFCD07784046(2R,4R)-4-BENZYL-1-(TERT-BUTOXYCARBONYL)PYRROLIDINE-2-CARBOXYLIC ACID(2R,4R)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid(2R,4R)-4-Benzyl-1-(tert-Butoxycarbonyl)pyrrolidine-2-carboxylicacidrel-1-(1,1-Dimethylethyl) (2R,4R)-4-(phenylmethyl)-1,2-pyrrolidinedicarboxylate1233518-18-7(2R,4R)-4-Benzyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester(2R,4R)-4-benzyl-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acidSCHEMBL21409001DTXSID50428038
Show more names
(4R)-1-N-Boc-4-benzyl-D-proline, CAS 158459-13-31-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(phenylmethyl)-2-pyrrolidinecarboxylic acid1,2-Pyrrolidinedicarboxylic acid, 4-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (2R-cis)- (9CI)
(4R)-1-Boc-4-Benzyl-D-prolineAKOS027327635Rel-(2R,4R)-4-benzyl-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acidAS-36766CS-0171722CS-0356544(4R)-4-Benzyl-1-(tert-butoxycarbonyl)-D-prolineF034355
Database identifiers
- CAS
158459-13-3- PubChem CID
- 7145657
- DTXSID
DTXSID50428038
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 447.9 · 447.9±38.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 4.01 · 4.01±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 501 · P501-P270-P264-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…