Basic information
- CAS
21861-11-0- Standard SMILES
CC(CC(=O)O)SCC(N)C(=O)O- InChIKey
QAGUPZKZTPZYRU-UHFFFAOYSA-N- Molecular formula
- C7H13NO4S
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.05652907
Names & identifiers
- Preferred name
- S-(2-Carboxy-1-methylethyl)-L-cysteine
- IUPAC
- 3-(2-amino-2-carboxyethyl)sulfanylbutanoic acid
Names & synonyms
S-(2-CARBOXY-1-METHYLETHYL)-L-CYSTEINE21861-11-03-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acidS-(2-carboxyisopropyl)cysteineDTXSID10944466
Database identifiers
- CAS
21861-11-0- PubChem CID
- 30836
- DTXSID
DTXSID10944466- Nikkaji
- J2.376.394J
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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