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1-benzyl 4-ethyl (3R,4R)-3-[(tert-butoxycarbonyl)amino]piperidine-1,4-dicarboxylate

1-benzyl 4-ethyl (3R,4R)-3-[(tert-butoxycarbonyl)amino]piperidine-1,4-dicarboxylate

CAS: 2442565-19-5

Formula: C21H30N2O6

SMILES: CCOC(=O)[C@@H]1CCN(C[C@@H]1NC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1

IUPAC: 1-benzyl 4-ethyl (3R,4R)-3-{[(tert-butoxy)carbonyl]amino}piperidine-1,4-dicarboxylate

InChI: InChI=1S/C21H30N2O6/c1-5-27-18(24)16-11-12-23(13-17(16)22-19(25)29-21(2,3)4)20(26)28-14-15-9-7-6-8-10-15/h6-10,16-17H,5,11-14H2,1-4H3,(H,22,25)/t16-,17+/m1/s1

Composition: C (62.05%), H (7.44%), N (6.89%), O (23.62%)

Molar Mass: 406.479

Atom Count: 59

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 406.210386694
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XETAHUUYGCKWIL-SJORKVTESA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.13
Topological Polar Surface Area 94.17
Polarizability 41.84
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2442565-19-5 $1,472.00-$7,912.00$1,472.00$2,162.00$7,912.00
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