tert-butyl N-[(2R)-3-methyl-2-[(2S)-2-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]butyl]carbamate
Basic information
- CAS
1217630-30-2- Standard SMILES
CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1COCc1ccccc1- InChIKey
VLIGWYPLXSHODT-PMACEKPBSA-N- Molecular formula
- C23H36N2O4
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.26750763
Names & identifiers
- Preferred name
- tert-butyl N-[(2R)-3-methyl-2-[(2S)-2-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]butyl]carbamate
- IUPAC
- tert-butyl N-[(2R)-3-methyl-2-[(2S)-2-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]butyl]carbamate
- English name
- [1-(2-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid tert-butyl ester
- Molecular formula
- C23H36N2O4
- Molecular weight
- 404.54
Names & synonyms
tert-butyl N-[(2R)-3-methyl-2-[(2S)-2-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]butyl]carbamateDTXSID60652468tert-Butyl [(2R)-2-{(2S)-2-[(benzyloxy)methyl]pyrrolidine-1-carbonyl}-3-methylbutyl]carbamate[1-(2-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid tert-butyl esterCarbamic acid, N-[(2R)-3-methyl-2-[[(2S)-2-[(phenylmethoxy)methyl]-1-pyrrolidinyl]carbonyl]butyl]-, 1,1-dimethylethyl ester, rel-
Database identifiers
- CAS
1217630-30-2- PubChem CID
- 29973641
- DTXSID
DTXSID60652468
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Boiling point
- 544 · 544.0±30.0 °C(Predicted)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- solubility
- Chloroform, Ethyl Acetate, Methanol
- form
- Oil
- pka
- 12.37 · 12.37±0.46(Predicted)
- color
- Light-Yellow
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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