(R)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid
Basic information
- CAS
269398-80-3- Standard SMILES
Cc1ccccc1C[C@H](CC(=O)O)NC(=O)OC(C)(C)C- InChIKey
USTHBHOCUVYEFP-CYBMUJFWSA-N- Molecular formula
- C16H23NO4
- Average molar mass
- 293.36 g/mol
- Monoisotopic mass
- 293.16270821
Names & identifiers
- Preferred name
- (R)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid
- IUPAC
- (3R)-4-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- English name
- Boc-(R)-3-amino-4-(2-methyl-phenyl)-butyric acid
- Molecular formula
- C16H23NO4
- Molecular weight
- 293.36
Names & synonyms
269398-80-3(R)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acidBoc-(R)-3-Amino-4-(2-methyl-phenyl)-butyric acidMFCD01860922Boc-(R)-3-Amino-4-(2-methylphenyl)butanoic acidBoc-(R)-3-amino-4-(2-methylphenyl)-butyric acid(3R)-4-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid(3R)-3-(tert-butoxycarbonylamino)-4-(o-tolyl)butanoic acid(R)-2-Methyl-b-(Boc-amino)benzenebutanoic acid(3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(2-methylphenyl)butanoic acid(3R)-3-[(tert-butoxycarbonyl)amino]-4-(2-methylphenyl)butanoic acidBoc-D-beta-HPhe(2-Me)-OH
Show more names
RARECHEM AK PT B060Boc-D-β-HoPhe(2-Me)-OHBoc-D-b-HoPhe(2-Me)-OHBOC-D-Β-HOMOPHE(2-ME)-OHBOC-D-PHE(2-ME)-(C*CH2)OHBOC-D-BETA-HOPHE(2-ME)-OHBoc-2-Methyl-D-β-hoMophenylalanineBOC-2-METHYL-D-BETA-HOMOPHENYLALANINEBoc--3-Amino-4-(2-methyl-phenyl)-butyric acid
(3R)-3-(tert-butoxycarbonylamino)-4-(o-tolyl)butyric acidDTXSID501147694AKOS025401566FD10267(3R)-4-(2-methylphenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acidAC-22225PS-12259SY255049
Database identifiers
- CAS
269398-80-3- PubChem CID
- 7009745
- DTXSID
DTXSID501147694
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 460.4 · 460.4±40.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.43 · 4.43±0.10(Predicted)
- CAS DataBase Reference
- 269398 · 269398-80-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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