2-[(Phenoxyacetyl)amino]prop-2-enoic acid
Basic information
- CAS
41847-91-0- Standard SMILES
C=C(NC(=O)COc1ccccc1)C(=O)O- InChIKey
KFUCPFDQHURGLN-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- 2-[(Phenoxyacetyl)amino]prop-2-enoic acid
- IUPAC
- 2-[(2-phenoxyacetyl)amino]prop-2-enoic acid
Names & synonyms
41847-91-02-[(phenoxyacetyl)amino]prop-2-enoic acid2-[(2-phenoxyacetyl)amino]prop-2-enoic acidNSC1442932-(2-phenoxyacetamido)prop-2-enoic acidSCHEMBL6186553DTXSID80301567NSC-144293DS-012679
Database identifiers
- CAS
41847-91-0- PubChem CID
- 286320
- DTXSID
DTXSID80301567- Nikkaji
- J873.527A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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