Completing data — usually done within a minute
Basic information
- CAS
54468-53-0- Standard SMILES
C=C(CC(N)=O)C(=O)O- InChIKey
JRXNBYBCTNEZQY-UHFFFAOYSA-N- Molecular formula
- C5H7NO3
- Average molar mass
- 129.11 g/mol
- Monoisotopic mass
- 129.04259308
Names & identifiers
- Preferred name
- (1-Carbamoylmethyl)acrylic acid
- IUPAC
- 4-amino-2-methylidene-4-oxobutanoic acid
Names & synonyms
(1-Carbamoylmethyl)acrylic acid54468-53-0DTXSID90329196RefChem:204480DTXCID902802984-amino-2-methylidene-4-oxobutanoic aciditaconamic acid2-methylenesuccinamic acidSCHEMBL514158SCHEMBL771228JRXNBYBCTNEZQY-UHFFFAOYSA-NAKOS006341368
Database identifiers
- CAS
54468-53-0- PubChem CID
- 418291
- DTXSID
DTXSID90329196- Nikkaji
- J462.408D
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 162
Related reactions
6 records
Compound notes
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