(R)-3-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)propanoic acid

HCID 6992546

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Basic information

CAS: 248921-66-6
Standard SMILES: CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: BPYLRGKEIUPMRJ-MRVPVSSYSA-N
Molecular formula: C12H23NO5
Average molar mass: 261.31 g/mol
Monoisotopic mass: 261.15762284

Names & identifiers

Preferred name: (R)-3-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)propanoic acid
IUPAC: (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
English name: Boc-D-Ser(tBu)-OH
Molecular formula: C12H23NO5
Molecular weight: 261.31

Names & synonyms

248921-66-6boc-d-ser(tbu)-oh(R)-3-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)propanoic acidMFCD09751020O-tert-butyl-N-BOC-D-serineD-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-(2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidBoc-D-serine O-tert-Butyl Ether(2R)-3-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}propanoic acidBOC-D-serine t-butyl etherSCHEMBL212031DTXSID40426321

Show more names

Boc-D-Ser(tBu)N-BOC-(O-TBU)-D-SERINE)N-Boc-O-tert-butyl-D-serine7N-BOC-O-tert-Butyl-D-serine(Tert-Butoxy)Carbonyl D-Ser(tBu)-OH(Syrup)(R)-3-(tert-Butoxy)-2-(N-BOC-amino)-propanoic acidN-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-D-Serine

BPYLRGKEIUPMRJ-MRVPVSSYSA-NAKOS016842444CS-W019152GS-3841HY-W018366PD197015SY110695DB-214301

Database identifiers

CAS: 248921-66-6
PubChem CID: 6992546
DTXSID: DTXSID40426321
Nikkaji: J2.791.598A

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 84.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 301

Physicochemical properties

Boiling point: 383.1 · 383.1±37.0 °C(Predicted)
Density: 1.087 · 1.087±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.55 · 3.55±0.10(Predicted)
form: Solid
color: White to off-white
optical activity: Consistent with structure
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501