(-)-alpha-Amino-3-(thiocyanatomethyl)-4-hydroxybenzeneacetic acid
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Basic information
- Standard SMILES
N#CSCc1cc(C(N)C(=O)O)ccc1O- InChIKey
JOBUKOQHYFEAEY-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3S
- Average molar mass
- 238.27 g/mol
Names & identifiers
- Preferred name
- (-)-alpha-Amino-3-(thiocyanatomethyl)-4-hydroxybenzeneacetic acid
- IUPAC
- 2-amino-2-[4-hydroxy-3-(thiocyanatomethyl)phenyl]acetic acid
Names & synonyms
SCHEMBL11445357JOBUKOQHYFEAEY-UHFFFAOYSA-N(-)-alpha-Amino-3-(thiocyanatomethyl)-4-hydroxybenzeneacetic acid
Database identifiers
- PubChem CID
- 23329809
Properties
Computed structural propertiesFilling in
- XLogP
- -1.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Related reactions
4 records
Compound notes
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