Basic information
- CAS
340732-80-1- Standard SMILES
COC(=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1- InChIKey
RNYKNTFFHHMGSB-LBPRGKRZSA-N- Molecular formula
- C16H21NO6
- Average molar mass
- 323.34 g/mol
- Monoisotopic mass
- 323.13688739
Names & identifiers
- Preferred name
- (2S)-2-(((tert-butoxy)carbonyl)amino)-3-(4-(methoxycarbonyl)phenyl)propanoic acid
- IUPAC
- (2S)-3-(4-methoxycarbonylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Names & synonyms
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[4-(methoxycarbonyl)phenyl]propanoic acidN-[(1,1-Dimethylethoxy)carbonyl]-4-(methoxycarbonyl)-L-phenylalanineN-((1,1-Dimethylethoxy)carbonyl)-4-(methoxycarbonyl)-L-phenylalanine(2S)-2-(((tert-butoxy)carbonyl)amino)-3-(4-(methoxycarbonyl)phenyl)propanoic acidRefChem:397981996-539-2340732-80-1SCHEMBL2335337N-(tert-Butoxycarbonyl)-4-(methoxycarbonyl)phenylalanineRNYKNTFFHHMGSB-LBPRGKRZSA-NDTXSID201158325EN300-6501512
Show more names
N-(tert-Butoxycarbonyl)-4-(methoxycarbonyl)-L-phenylalanineL-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-(methoxycarbonyl)-
Database identifiers
- CAS
340732-80-1- PubChem CID
- 18454841
- DTXSID
DTXSID201158325- EC Number
- 996-539-2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 434
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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