Basic information
- CAS
90128-96-4- Standard SMILES
COC(=O)C(N)C(C)(C)S- InChIKey
FIXGPNLTDAUQQF-UHFFFAOYSA-N- Molecular formula
- C6H13NO2S
- Average molar mass
- 163.24 g/mol
Names & identifiers
- Preferred name
- (R)-Methyl 2-amino-3-mercapto-3-methylbutanoate
- IUPAC
- methyl 2-amino-3-methyl-3-sulfanylbutanoate
Names & synonyms
90128-96-4(R)-Methyl 2-amino-3-mercapto-3-methylbutanoateSCHEMBL2420558NSC401061NSC-401061SB44924PD119010DS-000775methyl 2-amino-3-methyl-3-sulfanyl-butanoate
Database identifiers
- CAS
90128-96-4- PubChem CID
- 359428
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Related reactions
3 records
Compound notes
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