Home Carboxys 1-Piperidinecarboxylic acid, 4-[[[(1R,2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl]amino]-, 1,1-dimethylethyl ester

1-Piperidinecarboxylic acid, 4-[[[(1R,2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl]amino]-, 1,1-dimethylethyl ester

CAS No.:
1174020-64-4
Catalog Number:
AG000E86
Molecular Formula:
C17H28N4O5
Molecular Weight:
368.4280
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Product Description
Catalog Number:
AG000E86
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[[(1R,2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
1174020-64-4
Molecular Formula:
C17H28N4O5
Molecular Weight:
368.4280
MDL Number:
MFCD30609552
IUPAC Name:
tert-butyl 4-[[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]piperidine-1-carboxylate
InChI:
InChI=1S/C17H28N4O5/c1-17(2,3)26-16(24)19-8-6-11(7-9-19)18-14(22)13-5-4-12-10-20(13)15(23)21(12)25/h11-13,25H,4-10H2,1-3H3,(H,18,22)/t12-,13+/m1/s1
InChI Key:
SXKJDJFTBGADNS-OLZOCXBDSA-N
SMILES:
O=C([C@@H]1CC[C@@H]2CN1C(=O)N2O)NC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
582  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
368.206g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
368.434g/mol
Monoisotopic Mass:
368.206g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties