Basic information
- CAS
25800-54-8- Standard SMILES
CCN(CC)C(=O)CC(NCc1ccccc1)C(=O)O- InChIKey
UMLACCFXXBMTNJ-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.16304257
Names & identifiers
- Preferred name
- Asparagine, N(sup 2)-benzyl-N,N-diethyl-, DL-
- IUPAC
- 2-(benzylamino)-4-(diethylamino)-4-oxobutanoic acid
Names & synonyms
25800-54-8ASPARAGINE, N(sup 2)-BENZYL-N,N-DIETHYL-, DL-RefChem:1077300DL-N(sup 2)-Benzyl-N,N-diethylasparagineBRN 3977483N(sup 2)-Benzil-N,N-dietil-beta-DL-asparagina [Italian]N(sup 2)-Benzil-N,N-dietil-beta-DL-asparaginaDTXSID70948703N~2~-Benzyl-N,N-diethylasparagine
Database identifiers
- CAS
25800-54-8- PubChem CID
- 33174
- DTXSID
DTXSID70948703
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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