2-(((Tert-butoxy)carbonyl)amino)-3-(oxolan-3-yl)propanoic acid
Basic information
- CAS
1404754-54-6- Standard SMILES
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)O- InChIKey
YNYWZOUUORFIOY-UHFFFAOYSA-N- Molecular formula
- C12H21NO5
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.14197277
Names & identifiers
- Preferred name
- 2-(((Tert-butoxy)carbonyl)amino)-3-(oxolan-3-yl)propanoic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxolan-3-yl)propanoic acid
Names & synonyms
1404754-54-62-{[(tert-butoxy)carbonyl]amino}-3-(oxolan-3-yl)propanoic acid2-([(tert-Butoxy)carbonyl]amino)-3-(oxolan-3-yl)propanoic acid2-(((Tert-butoxy)carbonyl)amino)-3-(oxolan-3-yl)propanoic acidRefChem:447117824-503-72-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxolan-3-yl)propanoic acidSCHEMBL26120706EGC75454MFCD18375006AKOS013465740AT25960
Show more names
SY488303EN300-10711362-(Boc-amino)-3-(tetrahydrofuran-3-yl)propanoic Acid2-{[(tert-butoxy)carbonyl]amino}-3-(oxolan-3-yl)propanoicacid2-((TERT-BUTOXYCARBONYL)AMINO)-3-(TETRAHYDROFURAN-3-YL)PROPANOIC ACID
Database identifiers
- CAS
1404754-54-6- PubChem CID
- 64147142
- EC Number
- 824-503-7
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
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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Compound notes
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