4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid
Basic information
- CAS
62561-81-3- Standard SMILES
CC(NC(=O)C=CC(=O)O)c1ccccc1- InChIKey
YBCNEBVTRKGSFM-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Overview
4-oxo-4-[(1-phenylethyl)amino]but-2-enoic acid is a member of benzenes.
Names & identifiers
- Preferred name
- 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid
- IUPAC
- 4-oxo-4-(1-phenylethylamino)but-2-enoic acid
Names & synonyms
4-oxo-4-[(1-phenylethyl)amino]but-2-enoic acid4-oxo-4-(1-phenylethylamino)but-2-enoic acid62561-81-3CBDivE_000129DTXSID40302373CHEBI:192650
Database identifiers
- CAS
62561-81-3- PubChem CID
- 289080
- DTXSID
DTXSID40302373- ChEBI
CHEBI:192650
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…