2-Amino-3-(2-boronoethylsulfanyl)propanoic acid
Basic information
- CAS
88642-86-8- Standard SMILES
NC(CSCCB(O)O)C(=O)O- InChIKey
OTJHLDXXJHAZTN-UHFFFAOYSA-N- Molecular formula
- C5H12BNO4S
- Average molar mass
- 193.03 g/mol
- Monoisotopic mass
- 193.05800926
Names & identifiers
- Preferred name
- 2-Amino-3-(2-boronoethylsulfanyl)propanoic acid
- IUPAC
- 2-amino-3-(2-boronoethylsulfanyl)propanoic acid
- English name
- 2-amino-3-(2-boronoethylsulfanyl)propanoic acid
- Molecular formula
- C5H12BNO4S
- Molecular weight
- 0
Names & synonyms
88642-86-82-amino-3-(2-boronoethylsulfanyl)propanoic acidNSC77838S-(2-Boronoethyl)cysteineSCHEMBL18543021DTXSID201377965HMS3743E15NSC-77838Alanine, 3-[(2-boronoethyl)thio]-Alanine,3-[(2-boronoethyl)thio]-(7ci)DS-006407
Database identifiers
- CAS
88642-86-8- PubChem CID
- 2306
- DTXSID
DTXSID201377965
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
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Related reactions
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Compound notes
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