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tert-butyl (1S,5S)-5-methyl-7-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate

tert-butyl (1S,5S)-5-methyl-7-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate

CAS: 1263379-00-5

Formula: C12H19NO3

SMILES: CC(C)(C)OC(=O)N1CC[C@@]2(C)CC(=O)[C@@H]12

IUPAC: tert-butyl (1S,5S)-5-methyl-7-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate

InChI: InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-6-5-12(4)7-8(14)9(12)13/h9H,5-7H2,1-4H3/t9-,12+/m1/s1

Composition: C (63.98%), H (8.50%), N (6.22%), O (21.30%)

Molar Mass: 225.288

Atom Count: 35

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 225.136493476
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VTTYZMLUZRUKBA-SKDRFNHKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.1
Topological Polar Surface Area 46.61
Polarizability 23.38
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1263379-00-5 $11,362.00-$3,312.00$3,312.00$11,362.00
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