4-(Butylamino)-4-oxobut-2-enoic acid
Basic information
- CAS
45019-30-5- Standard SMILES
CCCCNC(=O)C=CC(=O)O- InChIKey
BEWIWYDBTBVVIA-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08954328
Names & identifiers
- Preferred name
- 4-(Butylamino)-4-oxobut-2-enoic acid
- IUPAC
- 4-(butylamino)-4-oxobut-2-enoic acid
Names & synonyms
N,n-BUTYL MALEAMIC ACID4-(butylamino)-4-oxobut-2-enoic acid3-Butylcarbamoyl-acrylic acid45019-30-5SCHEMBL1395633BEWIWYDBTBVVIA-UHFFFAOYSA-NDTXSID4012912784-(Butylamino)-4-oxo-2-butenoic acid
Database identifiers
- CAS
45019-30-5- PubChem CID
- 97787
- DTXSID
DTXSID401291278
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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