(S)-5-tert-Butyl 1-methyl 2-((tert-butoxycarbonyl)amino)pentanedioate
Basic information
- CAS
18635-51-3- Standard SMILES
COC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C- InChIKey
QJMOKJOSDZAYSQ-JTQLQIEISA-N- Molecular formula
- C15H27NO6
- Average molar mass
- 317.38 g/mol
- Monoisotopic mass
- 317.18383758
Names & identifiers
- Preferred name
- (S)-5-tert-Butyl 1-methyl 2-((tert-butoxycarbonyl)amino)pentanedioate
- IUPAC
- 5-O-tert-butyl 1-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
- English name
- boc-glu(otbu)-ome
- Molecular formula
- C15H27NO6
- Molecular weight
- 317.38
Names & synonyms
18635-51-3Boc-Glu(otbu)-ome(S)-5-tert-Butyl 1-methyl 2-((tert-butoxycarbonyl)amino)pentanedioateMFCD275783145-tert-butyl 1-methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}pentanedioate5-O-tert-butyl 1-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate5-(tert-Butyl)1-methyl(tert-Butoxycarbonyl)-l-glutamateSCHEMBL13076509AKOS027439359AS-36993CS-0173092F535401
Show more names
L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(1,1-dimethylethyl) 1-methyl ester
(S)-5-tert-Butyl1-methyl2-((tert-butoxycarbonyl)amino)pentanedioateO5-tert-butyl O1-methyl (2S)-2-(tert-butoxycarbonylamino)pentanedioate
Database identifiers
- CAS
18635-51-3- PubChem CID
- 10381124
- Nikkaji
- J3.594.967D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Boiling point
- 403.1 · 403.1±35.0 °C(Predicted)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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