(S)-1-(tert-Butoxycarbonyl)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid
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Basic information
- CAS
959579-73-8- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@@]1(CCCc1ccccc1)C(=O)O- InChIKey
ZMZPCACRGQMUGK-IBGZPJMESA-N- Molecular formula
- C19H27NO4
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.19400834
Names & identifiers
- Preferred name
- (S)-1-(tert-Butoxycarbonyl)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid
- English name
- BOC-(S)-ALPHA-(3-PHENYL-PROPYL)-PROLINE
- Molecular formula
- C19H27NO4
- Molecular weight
- 333.42
Names & synonyms
959579-73-8(S)-1-(tert-Butoxycarbonyl)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acidBoc-(S)-alpha-(3-phenyl-propyl)-proline(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acidMFCD06659359(2S)-1-[(tert-butoxy)carbonyl]-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acidDTXSID30375990(2S)-1-tert-butoxycarbonyl-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid(S)-1-(tert-Butoxycarbonyl)-2-(3-phenylpropyl)pyrrolidine-2-carboxylicacidAKOS015949829PS-126091-(tert-Butoxycarbonyl)-2-(3-phenylpropyl)-L-proline
Show more names
Boc-(S)-a-(3-phenylpropyl)prolineN-(t-Butoxycarbonyl)-2-(3-phenylpropyl)-D-proline(Tert-Butoxy)Carbonyl (S)-Alpha-(3-Phenyl-propyl)-Pro1,2-Pyrrolidinedicarboxylic acid, 2-(3-phenylpropyl)-, 1-(1,1-dimethylethyl) ester, (2S)-
Database identifiers
- CAS
959579-73-8- PubChem CID
- 2761920
- DTXSID
DTXSID30375990
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Boiling point
- 468 · 468.0±38.0 °C(Predicted)
- Density
- 1.14 · 1.140±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.04 · 4.04±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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