Einecs 266-104-5
(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-methylpropan-2-amine
Also Known As: EINECS 266-104-5|compound with tert-butylamine|clavulanic acid tert-butylamine|Clavulanate Tert-butylamine TBA|EC 266-104-5|(2R-(2alpha,3Z,5alpha))-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, compound with tert-butylamine (1:1)|(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-methylpropan-2-amine|[2R-(2|A,3Z,5|A)]-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, compound with tert-butylamine (1:1)|4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R,3Z,5R)-, compd. with 2-methyl-2-propanamine (1:1)
| Molecular Formula | C12H20N2O5 |
|---|---|
| Molecular Weight | 272.1372 g/mol |
| LogP | -0.352 |
| Topological Polar Surface Area | 113.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.1372 |
| Monoisotopic Mass | 272.1372 |
| Heavy Atoms | 19 |
| Complexity | 393.41415 |
Chemical Identifiers
| CAS Number | 66069-34-9 |
|---|---|
| SMILES | CC(C)(C)N.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O |
Product Overview
Einecs 266-104-5 (CAS 66069-34-9), with molecular formula C12H20N2O5 and molecular weight 272.1372 g/mol. IUPAC: (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-methylpropan-2-amine.
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