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Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1nc(C(=O)C(=O)O)ns1- InChIKey
JPQCZOUBLNGLCZ-UHFFFAOYSA-N- Molecular formula
- C9H11N3O5S
- Average molar mass
- 273.27 g/mol
- Monoisotopic mass
- 273.04194163
Names & identifiers
- Preferred name
- 2-(5-((tert-Butoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)-2-oxoacetic acid
- IUPAC
- 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]-2-oxoacetic acid
Names & synonyms
78092-95-22-(5-((tert-Butoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)-2-oxoacetic acidSCHEMBL9121665JPQCZOUBLNGLCZ-UHFFFAOYSA-NDB-1632402-(5-Tert-butyloxycarbonylamino-1,2,4-thiadiazol-3-yl)-2-oxoacetic acid2-(5-{[(Tert-butoxy)carbonyl]amino}-1,2,4-thiadiazol-3-yl)-2-oxoacetic acid
Database identifiers
- PubChem CID
- 20076586
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Related reactions
4 records
Compound notes
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