Basic information
- Standard SMILES
CNC(=O)C(=O)C(CNC(C)=O)NC(=O)OCc1ccccc1- InChIKey
JULIFXDBMVMFJK-UHFFFAOYSA-N- Molecular formula
- C15H19N3O5
- Average molar mass
- 321.33 g/mol
- Monoisotopic mass
- 321.13247072
Names & identifiers
- Preferred name
- [1-(Acetylaminomethyl)-2-methylcarbamoyl-2-oxoethyl]carbamic acid benzyl ester
- IUPAC
- benzyl N-[1-acetamido-4-(methylamino)-3,4-dioxobutan-2-yl]carbamate
Names & synonyms
SCHEMBL6817056JULIFXDBMVMFJK-UHFFFAOYSA-N[1-(acetylaminomethyl)-2-methylcarbamoyl-2-oxoethyl]carbamic acid benzyl ester
Database identifiers
- PubChem CID
- 69905615
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
1 records
Compound notes
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