3-(Boc-amino)-3-(4-tetrahydropyranyl)propanoic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
887588-90-1- Standard SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C1CCOCC1- InChIKey
AUWJFVZVUBWQPT-UHFFFAOYSA-N- Molecular formula
- C13H23NO5
- Average molar mass
- 273.33 g/mol
- Monoisotopic mass
- 273.15762283
Names & identifiers
- Preferred name
- 3-(Boc-amino)-3-(4-tetrahydropyranyl)propanoic acid
- IUPAC
- 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic acid
- English name
- 3-(Boc-aMino)-3-(4-tetrahydropyranyl)propanoic Acid
- Molecular formula
- C13H23NO5
- Molecular weight
- 273.33
Names & synonyms
887588-90-13-(BOC-AMINO)-3-(4-TETRAHYDROPYRANYL)PROPANOIC ACID3-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-pyran-4-yl)propanoic acidMFCD041155413-tert-Butoxycarbonylamino-3-(tetrahydro-pyran-4-yl)-propionic acid3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic acidbeta-[[(1,1-Dimethylethoxy)carbonyl]amino]tetrahydro-2H-pyran-4-propanoic acid3-(Boc-amino)-3-(4-tetrahydropyranyl)propanoicAcidDTXSID501142456MKB588903-[(TERT-BUTOXYCARBONYL)AMINO]-3-(OXAN-4-YL)PROPANOIC ACIDAKOS013461146
Show more names
3-(Boc-amino)-3-(tetrahydropyran-4-yl)propanoic acid2H-Pyran-4-propanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-
AB20201AS-32421SY015607DB-024252CS-0262116EN300-815189F447412Z1201019805
Database identifiers
- CAS
887588-90-1- PubChem CID
- 22309342
- DTXSID
DTXSID501142456
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 438.9 · 438.9±20.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.38 · 4.38±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…