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methyl (3S,4S)-4-[(tert-butoxycarbonyl)amino]piperidine-3-carboxylate

methyl (3S,4S)-4-[(tert-butoxycarbonyl)amino]piperidine-3-carboxylate

CAS: 1217774-23-6

Formula: C12H22N2O4

SMILES: COC(=O)[C@H]1CNCC[C@@H]1NC(=O)OC(C)(C)C

IUPAC: methyl (3S,4S)-4-{[(tert-butoxy)carbonyl]amino}piperidine-3-carboxylate

InChI: InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-9-5-6-13-7-8(9)10(15)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,16)/t8-,9+/m0/s1

Composition: C (55.80%), H (8.58%), N (10.84%), O (24.77%)

Molar Mass: 258.318

Atom Count: 40

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 258.157957196
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JZMRLHYTQICGLN-IUCAKERBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.69
Topological Polar Surface Area 76.66
Polarizability 26.35
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1217774-23-6 $556.08-$1,539.33$556.08$556.08$1,539.33$1,539.33
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