N-Phenylacetylaspartic acid
2-[(2-phenylacetyl)amino]butanedioic acid
Also Known As: N-Phenylacetylaspartic acid|Phenylacetylaspartic acid|Oprea1_559484|N-(Phenylacetyl)aspartic acid|N-(Phenylacetyl)aspartic acid #|aspartic acid, N-(phenylacetyl)-|DL-(2-Phenylacetyl)aspartic acid|2-(2-phenylacetamido)butanedioic acid|N-(Phenylacetyl)-dl-aspartic acid|2-[(2-phenylacetyl)amino]butanedioic acid
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.07938 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.07938 |
| Monoisotopic Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 17079-41-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C(=O)O |
| InChIKey | SVFKZPQPMMZHLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Phenylacetylaspartic acid (CAS 17079-41-3), with molecular formula C12H13NO5 and molecular weight 251.07938 g/mol. IUPAC: 2-[(2-phenylacetyl)amino]butanedioic acid.
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