(3aR,6aR)-rel-Hexahydro-4-oxo-pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic Acid 1,1-Dimethylethyl Ester - CAS 1251003-89-0
Catalog: |
BB064262 |
Product Name: |
(3aR,6aR)-rel-Hexahydro-4-oxo-pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic Acid 1,1-Dimethylethyl Ester |
CAS: |
1251003-89-0 |
Synonyms: |
CIS-4-OXO-HEXAHYDRO-PYRROLO[3,4-C]PYRROLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER; (3aR,6aR)-rel-Hexahydro-4-oxo-pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic Acid 1,1-Dimethylethyl Ester; tert-butyl (3aR,6aR)-3-oxo-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate; tert-Butyl (3aR,6aR)-4-oxohexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate |
IUPAC Name: | tert-butyl (3aR,6aR)-3-oxo-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate |
Description: | (3aR,6aR)-rel-Hexahydro-4-oxo-pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic Acid 1,1-Dimethylethyl Ester is used in the synthesis of CDK4/6 inhibitors. |
Molecular Weight: | 210.27 |
Molecular Formula: | C11H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2CNC(=O)C2C1 |
InChI: | InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-5-7-4-12-9(14)8(7)6-13/h7-8H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m1/s1 |
InChI Key: | BQFMMOCNINXPIC-SFYZADRCSA-N |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.13174244 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.13174244 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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