Basic information
- Standard SMILES
COC(=O)[C@](N)(N=C=O)C(C)C- InChIKey
MOSHWNYLKZXYDI-SSDOTTSWSA-N- Molecular formula
- C7H12N2O3
- Average molar mass
- 172.18 g/mol
Names & identifiers
- Preferred name
- a-Isocyanato-valine methyl ester
- IUPAC
- methyl (2R)-2-amino-2-isocyanato-3-methylbutanoate
Names & synonyms
SCHEMBL4676496a-isocyanato-valine methyl esterMOSHWNYLKZXYDI-SSDOTTSWSA-Na-isocyanato-L-valine methyl esteralpha-isocyanato-valine methyl esteralpha-isocyanato-L-valine methyl ester
Database identifiers
- PubChem CID
- 22845662
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 221
Related reactions
75 records
Compound notes
Loading…