2-Acetamido-3-ethoxy-3-oxopropanoic acid

HCID 3276255

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

Related reactions

5 records

Compound notes

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