Basic information
- CAS
7495-73-0- Standard SMILES
CCNC(CC(N)=O)C(=O)O- InChIKey
OLNLSTNFRUFTLM-UHFFFAOYSA-N- Molecular formula
- C6H12N2O3
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.08479225
Overview
N-ethylasparagine is a dicarboxylic acid monoamide that is asparagine in which one of the hydrogens attached to the nitrogen of the alpha-amino group is replaced by an ethyl group. It is an asparagine derivative, a dicarboxylic acid monoamide, a secondary amino compound and a non-proteinogenic alpha-amino acid. It is functionally related to an asparagine.
Names & identifiers
- Preferred name
- 4-Amino-2-(ethylamino)-4-oxobutanoic acid
- IUPAC
- 4-amino-2-(ethylamino)-4-oxobutanoic acid
- English name
- 4-amino-2-(ethylamino)-4-oxobutanoic acid
- Molecular formula
- C6H12N2O3
- Molecular weight
- 160.17
Names & synonyms
4-amino-2-(ethylamino)-4-oxobutanoic acidn-ethylasparagine7495-73-0NSC407759N(2)-ethylasparagineSCHEMBL88480CHEBI:64308NSC-407759Q27133211Asparagine, N2-ethyl-
Database identifiers
- CAS
7495-73-0- PubChem CID
- 348458
- ChEBI
CHEBI:64308
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 257 °C · 257 °C(Solv: water (7732-18-5))
- Boiling point
- 398.8 · 398.8±37.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- pka
- 2.23 · 2.23±0.10(Predicted)
Chemistry & industry
Suppliers1 total
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
Additional notes
DefinitionChEBI: N-ethylasparagine is a dicarboxylic acid monoamide that is asparagine in which one of the hydrogens attached to the nitrogen of the alpha-amino group is replaced by an ethyl group. It is a dicarboxylic acid monoamide, a secondary amino compound, a non-proteinogenic alpha-amino acid and an asparagine derivative. It is functionally related to an asparagine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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