Basic information
- CAS
25800-55-9- Standard SMILES
O=C(CC(NCc1ccccc1)C(=O)O)NCc1ccccc1- InChIKey
UTEIYYMJOOFGCY-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.1473925
Names & identifiers
- Preferred name
- Asparagine, N,N(sup 2)-dibenzyl-, DL-
- IUPAC
- 2,4-bis(benzylamino)-4-oxobutanoic acid
Names & synonyms
25800-55-9ASPARAGINE, N,N(sup 2)-DIBENZYL-, DL-RefChem:1077301DL-N,N(sup 2)-Dibenzylasparagine2-(BENZYLAMINO)-3-(BENZYLCARBAMOYL)PROPANOIC ACIDBRN 26683054-12-00-02348 (Beilstein Handbook Reference)DTXSID30948704N-Benzyl-4-(benzylimino)homoserineAKOS002229298AKOS016165088AZ-6012
Show more names
ST451779202-[benzylamino]-3-[N-benzylcarbamoyl]propanoic acid
Database identifiers
- CAS
25800-55-9- PubChem CID
- 33175
- DTXSID
DTXSID30948704
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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