alpha-isothiocyanato-(L)-valine methyl ester

HCID 18655668
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Basic information

Standard SMILES
COC(=O)[C@](N)(N=C=S)C(C)C
InChIKey
OYTWCTZAVGLSSK-SSDOTTSWSA-N
Molecular formula
C7H12N2O2S
Average molar mass
188.25 g/mol

Names & identifiers

Preferred name
alpha-isothiocyanato-(L)-valine methyl ester
IUPAC
methyl (2R)-2-amino-2-isothiocyanato-3-methylbutanoate

Names & synonyms

SCHEMBL7335869OYTWCTZAVGLSSK-SSDOTTSWSA-Nalpha-isothiocyanato-(L)-valine methyl ester

Database identifiers

PubChem CID
18655668

Properties

Computed structural properties

XLogP
2
Topological polar surface area
96.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
12

Related reactions

7 records
New reaction record

Compound notes

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