2-Amino-3-[(2,2-dichloroacetyl)amino]propanoic acid
Basic information
- CAS
77215-60-2- Standard SMILES
NC(CNC(=O)C(Cl)Cl)C(=O)O- InChIKey
PAHYLGNCWNFZMN-UHFFFAOYSA-N- Molecular formula
- C5H8Cl2N2O3
- Average molar mass
- 215.03 g/mol
- Monoisotopic mass
- 213.9911975
Names & identifiers
- Preferred name
- 2-Amino-3-[(2,2-dichloroacetyl)amino]propanoic acid
- IUPAC
- 2-amino-3-[(2,2-dichloroacetyl)amino]propanoic acid
Names & synonyms
2-amino-3-[(2,2-dichloroacetyl)amino]propanoic acid77215-60-2NSC326171CHEMBL153267DTXSID803181103-(2,2-Dichloroacetamido)alanineNSC-326171DS-012911
Database identifiers
- CAS
77215-60-2- PubChem CID
- 331706
- DTXSID
DTXSID80318110- ChEMBL
CHEMBL153267
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…