Home Carboxys rac-tert-butyl (3aR,6aS)-2-oxo-3-(piperidin-4-yl)-hexahydro-2H-pyrrolo[3,4-d][1,3]oxazole-5-carboxylate

rac-tert-butyl (3aR,6aS)-2-oxo-3-(piperidin-4-yl)-hexahydro-2H-pyrrolo[3,4-d][1,3]oxazole-5-carboxylate

CAS No.:
2044706-30-9
Catalog Number:
AG01BVEP
Molecular Formula:
C15H25N3O4
Molecular Weight:
311.3767
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Product Description
Catalog Number:
AG01BVEP
Chemical Name:
rac-tert-butyl (3aR,6aS)-2-oxo-3-(piperidin-4-yl)-hexahydro-2H-pyrrolo[3,4-d][1,3]oxazole-5-carboxylate
CAS Number:
2044706-30-9
Molecular Formula:
C15H25N3O4
Molecular Weight:
311.3767
MDL Number:
MFCD30478146
IUPAC Name:
tert-butyl (3aR,6aS)-2-oxo-3-piperidin-4-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate
InChI:
InChI=1S/C15H25N3O4/c1-15(2,3)22-13(19)17-8-11-12(9-17)21-14(20)18(11)10-4-6-16-7-5-10/h10-12,16H,4-9H2,1-3H3/t11-,12+/m1/s1
InChI Key:
LWYTVYRBKASNOF-NEPJUHHUSA-N
SMILES:
O=C(N1C[C@H]2[C@@H](C1)N(C(=O)O2)C1CCNCC1)OC(C)(C)C
Properties
Complexity:
456  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
311.185g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
311.382g/mol
Monoisotopic Mass:
311.185g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties