Arogenic acid
1-(2-amino-2-carboxyethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
Also Known As: Pretyrosine|Arogenic acid|Arogenate|KST-1B5752|1-(2-amino-2-carboxyethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid|1-carboxy-4-hydroxy-2,5-cyclohexadien-1-alanine|alpha-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid|L-(8S)-beta-(1-carboxy-4-hydroxy-2,5-cyclohexadien-1-yl)alanine|1-(2-Amino-2-carboxyethyl)-4-hydroxycyclohexa-2,5-dienecarboxylic acid|[1(S)-cis]-alpha-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid|1-(2-amino-3-hydroxy-3-oxopropyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid|2,5-Cyclohexadiene-1-propanoicacid, a-amino-1-carboxy-4-hydroxy-, (aS,1a,4a)-
| Molecular Formula | C10H13NO5 |
|---|---|
| Molecular Weight | 227.07938 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.07938 |
| Monoisotopic Mass | 227.07938 |
| Heavy Atoms | 16 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 87726-53-2 |
|---|---|
| SMILES | C1=CC(C=CC1O)(CC(C(=O)O)N)C(=O)O |
| InChIKey | MIEILDYWGANZNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Arogenic acid (CAS 87726-53-2), with molecular formula C10H13NO5 and molecular weight 227.07938 g/mol. IUPAC: 1-(2-amino-2-carboxyethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid.
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