2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid
Basic information
- CAS
136581-57-2- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccc(OC(F)F)cc1)C(=O)O- InChIKey
LRWYKHKOPAUCRX-UHFFFAOYSA-N- Molecular formula
- C15H19F2NO5
- Average molar mass
- 331.31 g/mol
- Monoisotopic mass
- 331.12312903
Names & identifiers
- Preferred name
- 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid
- IUPAC
- 3-[4-(difluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Names & synonyms
136581-57-22-{[(tert-butoxy)carbonyl]amino}-3-[4-(difluoromethoxy)phenyl]propanoic acid2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acidRefChem:447105994-237-52-((tert-Butoxycarbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid3-[4-(difluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acidstarbld0009081MFCD01222387AKOS026739935SY404553EN300-705736
Show more names
Z12010057772-(Boc-amino)-3-[4-(difluoromethoxy)phenyl]propanoic AcidN-alpha-t-Butyloxycarbonyl-O-difluoromethyl-L-tyrosine //
Database identifiers
- CAS
136581-57-2- PubChem CID
- 3984115
- EC Number
- 994-237-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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