Basic information
- Standard SMILES
CCCSCC(C)(N)C(=O)O- InChIKey
LFLCENOSUFBYGP-UHFFFAOYSA-N- Molecular formula
- C7H15NO2S
- Average molar mass
- 177.27 g/mol
- Monoisotopic mass
- 177.08234972
Names & identifiers
- Preferred name
- 2-Methyl-S-propylcysteine
- IUPAC
- 2-amino-2-methyl-3-propylsulfanylpropanoic acid
- English name
- 2-Methyl-3-(propylthio)-DL-alanine
- Molecular weight
- 0
Names & synonyms
2-methyl-s-propylcysteine33099-16-0RefChem:263734DL-Cysteine, 2-methyl-S-propyl-2-Methyl(propyl)cysteine #SCHEMBL7277520LFLCENOSUFBYGP-UHFFFAOYSA-NDTXSID5013124132-Methyl-3-(propylthio)-DL-alanineAKOS011208058Alanine, 2-methyl-3-(propylthio)-, DL-2-Methyl-S-propyl-DL-cysteine
Database identifiers
- CAS
33099-16-0- PubChem CID
- 560262
- DTXSID
DTXSID501312413
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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