3-(2-Benzothiazolyl)alanine
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid
Also Known As: 3-Btal|3-(2-Benzothiazolyl)alanine|3-(1,3-benzothiazol-2-yl)-d-alanine|(R)-alpha-Amino-2-benzothiazolepropanoic acid|3-(1,3-Benzothiazol-2-yl)alanine|2-Benzothiazolepropanoicacid,alpha-amino-, -|2-Benzothiazolepropanoic acid, alpha-amino-, (R)-|2-Benzothiazolepropanoicacid,|A-amino-,(R)-(9CI)|2-Benzothiazolepropanoicacid,alpha-amino-,(R)-(9CI)|(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid|2-Benzothiazolepropanoic acid, alpha-amino-, (R)- (9CI)
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.0463 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0463 |
| Monoisotopic Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 86014-92-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C[C@H](C(=O)O)N |
| InChIKey | DNDVHMGBCGSRIY-ZCFIWIBFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Benzothiazolyl)alanine (CAS 86014-92-8), with molecular formula C10H10N2O2S and molecular weight 222.0463 g/mol. IUPAC: (2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid.