Home Carboxys tert-butyl rac-(1R,5S,7s)-7-{[(benzyloxy)carbonyl]amino}-9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate

tert-butyl rac-(1R,5S,7s)-7-{[(benzyloxy)carbonyl]amino}-9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate

CAS No.:
1638643-12-5
Catalog Number:
AG01ACL2
Molecular Formula:
C21H28N2O5
Molecular Weight:
388.4574
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Product Description
Catalog Number:
AG01ACL2
Chemical Name:
tert-butyl rac-(1R,5S,7s)-7-{[(benzyloxy)carbonyl]amino}-9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CAS Number:
1638643-12-5
Molecular Formula:
C21H28N2O5
Molecular Weight:
388.4574
MDL Number:
MFCD26408026
IUPAC Name:
tert-butyl (1S,5R)-9-oxo-7-(phenylmethoxycarbonylamino)-3-azabicyclo[3.3.1]nonane-3-carboxylate
InChI:
InChI=1S/C21H28N2O5/c1-21(2,3)28-20(26)23-11-15-9-17(10-16(12-23)18(15)24)22-19(25)27-13-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3,(H,22,25)/t15-,16+,17?
InChI Key:
HFWSQLAEJMOTOX-SJPCQFCGSA-N
SMILES:
O=C(N[C@@H]1C[C@@H]2CN(C[C@H](C1)C2=O)C(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
576  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
388.2g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
388.464g/mol
Monoisotopic Mass:
388.2g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties