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bis(methyl 4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylate); oxalic acid

bis(methyl 4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylate); oxalic acid

CAS: 1788043-91-3

Formula: C26H46N4O12

SMILES: OC(=O)C(O)=O.COC(=O)C1(CCNCC1)NC(=O)OC(C)(C)C.COC(=O)C1(CCNCC1)NC(=O)OC(C)(C)C

IUPAC: bis(methyl 4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylate); oxalic acid

InChI: InChI=1S/2C12H22N2O4.C2H2O4/c2*1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12;3-1(4)2(5)6/h2*13H,5-8H2,1-4H3,(H,14,16);(H,3,4)(H,5,6)

Composition: C (51.48%), H (7.64%), N (9.24%), O (31.65%)

Molar Mass: 606.67

Atom Count: 88

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 606.311222937
Formal Charge 0
FSP3 0.77
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey GMQWYNXNWCXKQY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 65.84
Topological Polar Surface Area 76.66
Polarizability 26.35
Ring Count 2
Rotatable Bond Count 11

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97% <7 Days 1788043-91-3 $14.49-$1,358.96$14.49$38.30$164.57$174.92$419.18$1,358.96
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