(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-ethoxybutanoic acid
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Basic information
- CAS
630422-53-6- Standard SMILES
CCO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O- InChIKey
IWSAURYTXKUSGI-YUMQZZPRSA-N- Molecular formula
- C11H21NO5
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.14197277
Names & identifiers
- Preferred name
- (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-ethoxybutanoic acid
- IUPAC
- (2S,3S)-3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- English name
- Boc-(2S,3S)-2-amino-3-ethoxybutanoic acid
- Molecular formula
- C11H21NO5
- Molecular weight
- 247.29
Names & synonyms
630422-53-6N-Boc-O-ethyl-L-allothreonineBoc-(2S,3S)-2-amino-3-ethoxybutanoic acid(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-ethoxybutanoic acidBoc-Allo-O-Ethyl-L-Thr(2S,3S)-2-[(tert-butoxycarbonyl)amino]-3-ethoxybutanoic acidSCHEMBL1536360MFCD02682570(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-ethoxybutanoicacid(2S,3S)-2-{[(tert-butoxy)carbonyl]amino}-3-ethoxybutanoic acidL-Allothreonine, N-[(1,1-dimethylethoxy)carbonyl]-O-ethyl-
Database identifiers
- CAS
630422-53-6- PubChem CID
- 23595127
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- 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
- hazard_class
- IRRITANT
Related reactions
0 records
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Compound notes
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