Home Carboxys Racemic-(2S,3aS,6aS)-5-tert-butyl 2-ethyl hexahydropyrrolo[3,4-b]pyrrole-2,5(1H)-dicarboxylate

Racemic-(2S,3aS,6aS)-5-tert-butyl 2-ethyl hexahydropyrrolo[3,4-b]pyrrole-2,5(1H)-dicarboxylate

CAS No.:
1330764-83-4
Catalog Number:
AG00HSRS
Molecular Formula:
C14H24N2O4
Molecular Weight:
284.3514
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Product Description
Catalog Number:
AG00HSRS
Chemical Name:
Racemic-(2S,3aS,6aS)-5-tert-butyl 2-ethyl hexahydropyrrolo[3,4-b]pyrrole-2,5(1H)-dicarboxylate
CAS Number:
1330764-83-4
Molecular Formula:
C14H24N2O4
Molecular Weight:
284.3514
MDL Number:
MFCD20230957
IUPAC Name:
5-O-tert-butyl 2-O-ethyl (2S,3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-2,5-dicarboxylate
InChI:
InChI=1S/C14H24N2O4/c1-5-19-12(17)10-6-9-7-16(8-11(9)15-10)13(18)20-14(2,3)4/h9-11,15H,5-8H2,1-4H3/t9-,10-,11+/m0/s1
InChI Key:
SONYCWGYRAVLKE-GARJFASQSA-N
SMILES:
CCOC(=O)[C@H]1N[C@H]2[C@@H](C1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
284.174g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.356g/mol
Monoisotopic Mass:
284.174g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties