beta-Bromopropionylglycine ethyl ester
Basic information
- CAS
39748-71-5- Standard SMILES
CCOC(=O)CNC(=O)CCBr- InChIKey
XRWZUVIXEXGMRO-UHFFFAOYSA-N- Molecular formula
- C7H12BrNO3
- Average molar mass
- 238.08 g/mol
- Monoisotopic mass
- 237.00006
Names & identifiers
- Preferred name
- beta-Bromopropionylglycine ethyl ester
- IUPAC
- ethyl 2-(3-bromopropanoylamino)acetate
Names & synonyms
5CU2QT2N5Qbeta-Bromopropionylglycine ethyl ester39748-71-5N-(3-Bromo-1-oxopropyl)glycine ethyl esterGlycine, N-(3-bromo-1-oxopropyl)-, ethyl ester
Database identifiers
- CAS
39748-71-5- PubChem CID
- 12680974
- UNII
- 5CU2QT2N5Q
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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