Carbamic acid, (2-(2-formyl-1-pyrrolidinyl)-2-oxo-1-(phenylmethyl)ethyl)-, 1,1-dimethylethyl ester, (S-(R*,R*))-
Basic information
- CAS
99952-46-2- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C=O- InChIKey
STYWSBHYWCUVFQ-HOTGVXAUSA-N- Molecular formula
- C19H26N2O4
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.18925731
Names & identifiers
- Preferred name
- Carbamic acid, (2-(2-formyl-1-pyrrolidinyl)-2-oxo-1-(phenylmethyl)ethyl)-, 1,1-dimethylethyl ester, (S-(R*,R*))-
- IUPAC
- tert-butyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
Names & synonyms
t-Butyloxycarbonyl-phenylalanyl-prolinal99952-46-2Carbamic acid, (2-(2-formyl-1-pyrrolidinyl)-2-oxo-1-(phenylmethyl)ethyl)-, 1,1-dimethylethyl ester, (S-(R*,R*))-DTXSID50244356RefChem:331841DTXCID50166847SCHEMBL10605848STYWSBHYWCUVFQ-HOTGVXAUSA-Ntert-Butyl {(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl}carbamate
Database identifiers
- CAS
99952-46-2- PubChem CID
- 3063136
- DTXSID
DTXSID50244356
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Related reactions
1 records
Compound notes
Loading…