(R)-1-(tert-Butoxycarbonyl)-2-phenethylpyrrolidine-2-carboxylic acid
Basic information
- CAS
1217805-48-5- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@]1(CCc1ccccc1)C(=O)O- InChIKey
URLLHYVBNNPLET-SFHVURJKSA-N- Molecular formula
- C18H25NO4
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.17835828
Names & identifiers
- Preferred name
- (R)-1-(tert-Butoxycarbonyl)-2-phenethylpyrrolidine-2-carboxylic acid
- IUPAC
- (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-phenylethyl)pyrrolidine-2-carboxylic acid
- English name
- Boc-(R)-alpha-phenethyl-L-proline
- Molecular formula
- C18H25NO4
- Molecular weight
- 319.4
Names & synonyms
1217805-48-5(R)-1-(tert-Butoxycarbonyl)-2-phenethylpyrrolidine-2-carboxylic acidBoc-(R)-alpha-phenethyl-prolineMFCD06659173(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-phenylethyl)pyrrolidine-2-carboxylic acidBoc-(R)-2-phenethyl-proline(2R)-1-[(tert-butoxy)carbonyl]-2-(2-phenylethyl)pyrrolidine-2-carboxylic acidBoc-(R)-alpha-phenethyl-L-prolineBOC-(R)-A-PHENETHYLPROLINEDTXSID90428017(R)-1-(tert-Butoxycarbonyl)-2-phenethylpyrrolidine-2-carboxylicacid(2R)-1-tert-butoxycarbonyl-2-(2-phenylethyl)pyrrolidine-2-carboxylic acid
Show more names
BOC-(R)-ALPHA-PHENETHYLPROLINEN-(t-Butoxycarbonyl)-2-phenethyl-D-proline(Tert-Butoxy)Carbonyl (R)-Alpha-Phenethyl-Pro1,2-Pyrrolidinedicarboxylic acid, 2-(2-phenylethyl)-, 1-(1,1-dimethylethyl) ester, (2R)-
AKOS016844181PS-12556CS-0363146G849191-(tert-Butoxycarbonyl)-2-(2-phenylethyl)-D-proline
Database identifiers
- CAS
1217805-48-5- PubChem CID
- 7145409
- DTXSID
DTXSID90428017
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Boiling point
- 456.1 · 456.1±38.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.2 · 4.20±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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