3-(5-Hydroxy-1-benzothiophen-3-yl)alanine
Basic information
- CAS
24358-04-1- Standard SMILES
NC(Cc1csc2ccc(O)cc12)C(=O)O- InChIKey
CYQIJIXKWGWTKJ-UHFFFAOYSA-N- Molecular formula
- C11H11NO3S
- Average molar mass
- 237.28 g/mol
- Monoisotopic mass
- 237.04596421
Overview
2-amino-3-(5-hydroxy-1-benzothiophen-3-yl)propanoic acid is an alpha-amino acid.
Names & identifiers
- Preferred name
- 3-(5-Hydroxy-1-benzothiophen-3-yl)alanine
- IUPAC
- 2-amino-3-(5-hydroxy-1-benzothiophen-3-yl)propanoic acid
Names & synonyms
24358-04-1DTXSID909472133-(5-Hydroxy-1-benzothiophen-3-yl)alanineRefChem:1066930DTXCID3013754792-amino-3-(5-hydroxy-1-benzothiophen-3-yl)propanoic acid3-(5-Hydroxy-3-benzo(b)thienyl)alanineALANINE, 3-(5-HYDROXY-3-BENZO(b)THIENYL)-SCHEMBL5330046CHEBI:125374BRD-A17555397-001-01-0Q27215752
Database identifiers
- CAS
24358-04-1- PubChem CID
- 32334
- DTXSID
DTXSID90947213- ChEBI
CHEBI:125374
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
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Related reactions
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Compound notes
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