Basic information
- CAS
1286208-81-8- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C2CCOCC2)C1- InChIKey
GFVVQCGSYSMWIG-GFCCVEGCSA-N- Molecular formula
- C15H26N2O4
- Average molar mass
- 298.38 g/mol
- Monoisotopic mass
- 298.18925731
Names & identifiers
- Preferred name
- (R)-tert-Butyl 1-(tetrahydro-2H-pyran-4-carbonyl)pyrrolidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]carbamate
- English name
- (R)-tert-Butyl 1-(tetrahydro-2H-pyran-4-carbonyl)pyrrolidin-3-ylcarbamate
- Molecular formula
- C15H26N2O4
- Molecular weight
- 298.38
Names & synonyms
1286208-81-8(R)-tert-Butyl 1-(tetrahydro-2H-pyran-4-carbonyl)pyrrolidin-3-ylcarbamateMFCD17014267TERT-BUTYL N-[(3R)-1-(OXANE-4-CARBONYL)PYRROLIDIN-3-YL]CARBAMATE(R)-tert-Butyl(1-(tetrahydro-2H-pyran-4-carbonyl)pyrrolidin-3-yl)carbamateAKOS027385941KS-5806F063998tert-butyl N-[(3R)-1-(tetrahydropyran-4-carbonyl)pyrrolidin-3-yl]carbamateTert-butyl (r)-(1-(tetrahydro-2h-pyran-4-carbonyl)pyrrolidin-3-yl)carbamateCarbamic acid, N-[(3R)-1-[(tetrahydro-2H-pyran-4-yl)carbonyl]-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1286208-81-8- PubChem CID
- 53256072
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Boiling point
- 470.3 · 470.3±45.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 12.13 · 12.13±0.20(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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