Aspartic acid, N-ethyl-, DL-
Basic information
- CAS
5555-23-7- Standard SMILES
CCNC(CC(=O)O)C(=O)O- InChIKey
DRMDGQXVYQXMFW-UHFFFAOYSA-N- Molecular formula
- C6H11NO4
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.06880783
Names & identifiers
- Preferred name
- Aspartic acid, N-ethyl-, DL-
- IUPAC
- 2-(ethylamino)butanedioic acid
Names & synonyms
5555-23-7ASPARTIC ACID, N-ETHYL-, DL-RefChem:1077304N-Ethyl-DL-aspartic acid2-(ethylamino)butanedioic acidDL-Etielas partiensuurDL-N-Ethylasparatic acidN-ethyl-D-aspartic acidN-ethylaspartic acidSCHEMBL11131045DTXSID00970890MFCD01664788
Database identifiers
- CAS
5555-23-7- PubChem CID
- 21715
- DTXSID
DTXSID00970890
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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