2-[(2-Chloroacetyl)amino]-2-phenylpropanoic acid
Basic information
- CAS
6639-07-2- Standard SMILES
CC(NC(=O)CCl)(C(=O)O)c1ccccc1- InChIKey
AMQZRJMDKFTKMR-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO3
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0505709
Names & identifiers
- Preferred name
- 2-[(2-Chloroacetyl)amino]-2-phenylpropanoic acid
- IUPAC
- 2-[(2-chloroacetyl)amino]-2-phenylpropanoic acid
- English name
- 2-[(2-chloroacetyl)amino]-2-phenyl-propanoic acid
- Molecular formula
- C11H12ClNO3
- Molecular weight
- 0
Names & synonyms
6639-07-22-[(2-chloroacetyl)amino]-2-phenylpropanoic acidNSC17840SCHEMBL22032531DTXSID60280644NSC-178402-(2-CHLOROACETAMIDO)-2-PHENYLPROPANOIC ACID2-[(2-chloroacetyl)amino]-2-phenyl-propanoic acid
Database identifiers
- CAS
6639-07-2- PubChem CID
- 226889
- DTXSID
DTXSID60280644
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
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Related reactions
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Compound notes
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