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tert-butyl 1-{[(benzyloxy)carbonyl]amino}-3-azabicyclo[3.2.0]heptane-3-carboxylate

tert-butyl 1-{[(benzyloxy)carbonyl]amino}-3-azabicyclo[3.2.0]heptane-3-carboxylate

CAS: 1330763-68-2

Formula: C19H26N2O4

SMILES: CC(C)(C)OC(=O)N1CC2CCC2(C1)NC(=O)OCC1=CC=CC=C1

IUPAC: tert-butyl 1-{[(benzyloxy)carbonyl]amino}-3-azabicyclo[3.2.0]heptane-3-carboxylate

InChI: InChI=1/C19H26N2O4/c1-18(2,3)25-17(23)21-11-15-9-10-19(15,13-21)20-16(22)24-12-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,20,22)

Composition: C (65.88%), H (7.57%), N (8.09%), O (18.47%)

Molar Mass: 346.427

Atom Count: 51

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 346.189257325
Formal Charge 0
FSP3 0.58
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VAKDIUWABBBKQN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.06
Topological Polar Surface Area 67.87
Polarizability 36.63
Ring Count 3
Rotatable Bond Count 6

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95% 1 Day 1330763-68-2 $501.23-$1,945.94$501.23$972.97$1,945.94
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