tert-Butyl (2S,5R)-2-(4-aminobenzyl)-5-((R)-hydroxy(phenyl)methyl)pyrrolidine-1-carboxylate
Basic information
- CAS
1190391-85-5- Standard SMILES
CC(C)(C)OC(=O)N1[C@H](Cc2ccc(N)cc2)CC[C@@H]1[C@H](O)c1ccccc1- InChIKey
BTXYRUJPXJOEHP-PWRODBHTSA-N- Molecular formula
- C23H30N2O3
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.22564282
Names & identifiers
- Preferred name
- tert-Butyl (2S,5R)-2-(4-aminobenzyl)-5-((R)-hydroxy(phenyl)methyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S,5R)-2-[(4-aminophenyl)methyl]-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
- English name
- 1-Pyrrolidinecarboxylic acid, 2-[(4-aminophenyl)methyl]-5-[(R)-hydroxyphenylmethyl]-, 1,1-dimethylethyl ester, (2S,5R)-
- Molecular formula
- C23H30N2O3
- Molecular weight
- 382.5
Names & synonyms
tert-Butyl (2S,5R)-2-(4-aminobenzyl)-5-((R)-hydroxy(phenyl)methyl)pyrrolidine-1-carboxylate1190391-85-5tert-butyl (2S,5R)-2-(4-aminobenzyl)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylatestarbld0049377SCHEMBL909100BTXYRUJPXJOEHP-PWRODBHTSA-Ntert-butyl (2S, 5R)-2-(4-aminobenzyl)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 2-[(4-aminophenyl)methyl]-5-[(R)-hydroxyphenylmethyl]-, 1,1-dimethylethyl ester, (2S,5R)-
Database identifiers
- CAS
1190391-85-5- PubChem CID
- 57907643
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Boiling point
- 543.4 · 543.4±25.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 13.96 · 13.96±0.20(Predicted)
Related reactions
6 records
Compound notes
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