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Basic information
- CAS
89995-71-1- Standard SMILES
C=CC(=O)NC(O)C(=O)OCCCC- InChIKey
ZXJMJMWVKXAUEU-UHFFFAOYSA-N- Molecular formula
- C9H15NO4
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.10010796
Names & identifiers
- Preferred name
- Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester
- IUPAC
- butyl 2-hydroxy-2-(prop-2-enoylamino)acetate
Names & synonyms
89995-71-1Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl esterButyl 2-acrylamido-2-hydroxyacetateAcetic acid, hydroxy[(1-oxo-2-propenyl)amino]-, butyl esterButyl AcrylamidoglycolateSCHEMBL7889412ZXJMJMWVKXAUEU-UHFFFAOYSA-NDTXSID601009083Butyl hydroxy[(prop-2-enoyl)amino]acetateN-(2-Butoxy-1-hydroxy-2-oxoethyl)prop-2-enimidic acid
Database identifiers
- CAS
89995-71-1- PubChem CID
- 174780
- DTXSID
DTXSID601009083
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
3 records
Compound notes
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