Basic information
- CAS
16473-76-0- Standard SMILES
CC(=O)NC(CC(N)=O)C(=O)O- InChIKey
HXFOXFJUNFFYMO-UHFFFAOYSA-N- Molecular formula
- C6H10N2O4
- Average molar mass
- 174.15 g/mol
Overview
2-Acetamido-4-amino-4-oxobutanoic acid is an asparagine derivative.
Names & identifiers
- Preferred name
- 2-Acetamido-4-amino-4-oxobutanoic acid
- IUPAC
- 2-acetamido-4-amino-4-oxobutanoic acid
- English name
- N2-acetyl-DL-asparagine
- Molecular formula
- C6H10N2O4
- Molecular weight
- 174.15
Names & synonyms
16473-76-02-acetamido-4-amino-4-oxobutanoic acid3-carbamoyl-2-acetamidopropanoic acidN2-Acetyl-DL-asparagineNa-Acetyl-D-asparagineAsparagine, N2-acetyl-N??-Acetyl-L-asparagineEINECS 240-531-7na-acetyl-l-asparagineN~2~-acetylasparagineN?-Acetyl-L-asparagineMaybridge1_002477
Show more names
N-acetylasaparagine(±)-N2-Acetylasparagine
N-alpha-Acetyl-D-asparagineOprea1_301531DivK1c_001229SCHEMBL468796HMS548I13DTXSID109369872-ethyl-3-pyrazolecarboxylic acidCHEBI:182478
Database identifiers
- CAS
16473-76-0、4033-40-3- PubChem CID
- 78333
- DTXSID
DTXSID10936987- ChEBI
CHEBI:182478- EC Number
- 240-531-7
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 166 · 166-167 °C
- Boiling point
- 588.71 · 588.710±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.45 · 3.450±0.10(predicted)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Additional notes
DefinitionChEBI: 2-Acetamido-4-amino-4-oxobutanoic acid is an asparagine derivative.
Related reactions
1 records
Compound notes
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