Basic information
- Standard SMILES
CCOC(=O)C(NC(C)=O)C(=O)O- InChIKey
OQUXDKMVCGSMPI-UHFFFAOYSA-N- Molecular formula
- C7H11NO5
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.06372245
Names & identifiers
- Preferred name
- 2-Acetamido-3-ethoxy-3-oxopropanoic acid
- IUPAC
- 2-acetamido-3-ethoxy-3-oxopropanoic acid
Names & synonyms
2-acetamido-3-ethoxy-3-oxopropanoic acid54681-67-3187868-53-7MFCD00089333Propanedioic acid, (acetylamino)-, monoethyl ester, (+)- (9CI)2-(Acetylamino)propanedioic acid 1-ethyl ester2-Acetylamino-malonic acid monoethyl ester2-acetamido-3-ethoxy-3-oxo-propanoic acidMLS000551699SCHEMBL706882N-acetyl-O-ethyl-3-oxoserineN-acetylmalonate monoethyl ester
Show more names
CHEMBL1741370HMS2183K18acetamidomalonic acid monoethylesteracetamidomalonic acid monoethyl esterSTK723350AKOS0055244362-acetamido-3-ethoxy-3-oxopropanoicacid11G-368S
Database identifiers
- PubChem CID
- 3276255
- ChEMBL
CHEMBL1741370- Nikkaji
- J732.162G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
5 records
Compound notes
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