2-Amino-3-[2-(4-nitrophenyl)ethylsulfanyl]propanoic acid
Basic information
- CAS
37591-20-1- Standard SMILES
NC(CSCCc1ccc([N+](=O)[O-])cc1)C(=O)O- InChIKey
FHCHDDQQAMEDAS-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4S
- Average molar mass
- 270.31 g/mol
- Monoisotopic mass
- 270.06742811
Names & identifiers
- Preferred name
- 2-Amino-3-[2-(4-nitrophenyl)ethylsulfanyl]propanoic acid
- IUPAC
- 2-amino-3-[2-(4-nitrophenyl)ethylsulfanyl]propanoic acid
Names & synonyms
NSC163413NSC-16341337591-20-1
Database identifiers
- CAS
37591-20-1- PubChem CID
- 294596
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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