1-{[2-(Acetyloxy)ethyl]amino}-1-oxopropan-2-yl acetate
Basic information
- CAS
5338-38-5- Standard SMILES
CC(=O)OCCNC(=O)C(C)OC(C)=O- InChIKey
DEXQGIUQHTYBPI-UHFFFAOYSA-N- Molecular formula
- C9H15NO5
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.09502258
Names & identifiers
- Preferred name
- 1-{[2-(Acetyloxy)ethyl]amino}-1-oxopropan-2-yl acetate
- IUPAC
- 2-(2-acetyloxypropanoylamino)ethyl acetate
Names & synonyms
5338-38-51-{[2-(acetyloxy)ethyl]amino}-1-oxopropan-2-yl acetateNSC3154DTXSID40277613NSC-3154
Database identifiers
- CAS
5338-38-5- PubChem CID
- 220417
- DTXSID
DTXSID40277613
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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