8-Hydroxy-7-(hydroxymethyl)-4-methyl-6-oxa-2,4-diazabicyclo[3.2.1]octan-3-one
Basic information
- CAS
52019-17-7- Standard SMILES
CN1C(=O)NC2C(CO)OC1C2O- InChIKey
NOZJJFNKTNSZSX-UHFFFAOYSA-N- Molecular formula
- C7H12N2O4
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.07970687
Names & identifiers
- Preferred name
- 8-Hydroxy-7-(hydroxymethyl)-4-methyl-6-oxa-2,4-diazabicyclo[3.2.1]octan-3-one
- IUPAC
- 8-hydroxy-7-(hydroxymethyl)-4-methyl-6-oxa-2,4-diazabicyclo[3.2.1]octan-3-one
Names & synonyms
52019-17-78-hydroxy-7-(hydroxymethyl)-4-methyl-6-oxa-2,4-diazabicyclo[3.2.1]octan-3-oneNSC153377DTXSID30302766NSC-153377
Database identifiers
- CAS
52019-17-7- PubChem CID
- 290272
- DTXSID
DTXSID30302766
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 235
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Compound notes
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