(2S,5R)-3,7-dioxo-1,4-diazabicyclo[3.2.0]heptane-2-carboxylic acid
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Basic information
- CAS
779282-49-4- Standard SMILES
O=C(O)[C@@H]1C(=O)N[C@H]2CC(=O)N12- InChIKey
CYFQWRHXKQLPKF-FONMRSAGSA-N- Molecular formula
- C6H6N2O4
- Average molar mass
- 170.12 g/mol
- Monoisotopic mass
- 170.03275668
Names & identifiers
- Preferred name
- (2S,5R)-3,7-dioxo-1,4-diazabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- (2S,5R)-3,7-dioxo-1,4-diazabicyclo[3.2.0]heptane-2-carboxylic acid
- English name
- 1,4-Diazabicyclo[3.2.0]heptane-2-carboxylicacid,3,7-dioxo-,cis-(9CI)
- Molecular formula
- C6H6N2O4
- Molecular weight
- 0
Names & synonyms
1,4-Diazabicyclo[3.2.0]heptane-2-carboxylicacid,3,7-dioxo-,cis-(9CI)
Database identifiers
- CAS
779282-49-4- PubChem CID
- 45082718
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
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Compound notes
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