Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate
Basic information
- CAS
5589-84-4- Standard SMILES
CCOC(=O)CNC(=O)CNC(=O)Sc1ccccc1- InChIKey
IQQDZXKSZCRZPP-UHFFFAOYSA-N- Molecular formula
- C13H16N2O4S
- Average molar mass
- 296.34 g/mol
- Monoisotopic mass
- 296.08307817
Names & identifiers
- Preferred name
- Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate
- IUPAC
- ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate
Names & synonyms
5589-84-4ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetateNSC522637DTXSID60326011NSC-522637Ethyl N-[(phenylsulfanyl)carbonyl]glycylglycinate
Database identifiers
- CAS
5589-84-4- PubChem CID
- 351671
- DTXSID
DTXSID60326011
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
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Related reactions
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Compound notes
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