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3-{[(benzyloxy)carbonyl]amino}-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid

3-{[(benzyloxy)carbonyl]amino}-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid

CAS: 885270-27-9

Formula: C19H26N2O6

SMILES: CC(C)(C)OC(=O)N1CCCC(C1)(NC(=O)OCC1=CC=CC=C1)C(O)=O

IUPAC: 3-{[(benzyloxy)carbonyl]amino}-1-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid

InChI: InChI=1/C19H26N2O6/c1-18(2,3)27-17(25)21-11-7-10-19(13-21,15(22)23)20-16(24)26-12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,24)(H,22,23)

Composition: C (60.30%), H (6.93%), N (7.40%), O (25.37%)

Molar Mass: 378.425

Atom Count: 53

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 378.179086565
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey WFJMNSIPYXEIJT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.65
Topological Polar Surface Area 105.17
Polarizability 37.94
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 885270-27-9 $171.35-$4,128.50$171.35$227.70$339.25$563.50$1,012.00$4,128.50
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