1-(2-Acetyloxypropanoylamino)propan-2-yl acetate

HCID 229641

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Basic information

CAS: 5455-68-5
Standard SMILES: CC(=O)OC(C)CNC(=O)C(C)OC(C)=O
InChIKey: FWRHMENEFVMCAO-UHFFFAOYSA-N
Molecular formula: C10H17NO5
Average molar mass: 231.25 g/mol
Monoisotopic mass: 231.11067264

Names & identifiers

Preferred name: 1-(2-Acetyloxypropanoylamino)propan-2-yl acetate
IUPAC: 1-(2-acetyloxypropanoylamino)propan-2-yl acetate
English name: 1-(2-acetyloxypropanoylamino)propan-2-yl acetate
Molecular formula: C10H17NO5
Molecular weight: 231.25

Names & synonyms

5455-68-52-acetoxy-propionic acid 2-acetoxy-propylamide1-(2-acetyloxypropanoylamino)propan-2-yl acetateNSC23462DTXSID90281907NSC 23462NSC-234621-[2-(ACETYLOXY)PROPANAMIDO]PROPAN-2-YL ACETATEPropanamide, 2-(acetyloxy)-N-[2-(acetyloxy)propyl]-

Database identifiers

CAS: 5455-68-5
PubChem CID: 229641
DTXSID: DTXSID90281907

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 81.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 16
Formal charge: 0
Complexity: 276

Experimental & physicochemical properties

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