N-(2-Bromo-2-methyl-1-oxopropyl)glycine, ethyl ester
Basic information
- CAS
105427-04-1- Standard SMILES
CCOC(=O)CNC(=O)C(C)(C)Br- InChIKey
YNFHETZVQGBFCQ-UHFFFAOYSA-N- Molecular formula
- C8H14BrNO3
- Average molar mass
- 252.11 g/mol
- Monoisotopic mass
- 251.01571
Names & identifiers
- Preferred name
- N-(2-Bromo-2-methyl-1-oxopropyl)glycine, ethyl ester
- IUPAC
- ethyl 2-[(2-bromo-2-methylpropanoyl)amino]acetate
Names & synonyms
N-(2-Bromo-2-methyl-1-oxopropyl)glycine, ethyl ester105427-04-1CCRIS 1825MB4H6JP9FKDTXSID00147126ethyl N-(2-bromo-2-methylpropanoyl)glycinateN-(2-Bromo-2-methyl-1-oxopropyl)glycine ethyl esterGlycine, N-(2-bromo-2-methyl-1-oxopropyl)-, ethyl ester
Database identifiers
- CAS
105427-04-1- PubChem CID
- 149688
- DTXSID
DTXSID00147126- UNII
- MB4H6JP9FK
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
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Compound notes
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