tert-butyl 3-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxopropyl]piperidine-1-carboxylate

tert-butyl 3-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxopropyl]piperidine-1-carboxylate

CAS: 1217521-20-4

Formula: C22H32N2O6

SMILES: COC(=O)[C@H](CC1CCCN(C1)C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

IUPAC: tert-butyl 3-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxopropyl]piperidine-1-carboxylate

InChI: InChI=1S/C22H32N2O6/c1-22(2,3)30-21(27)24-12-8-11-17(14-24)13-18(19(25)28-4)23-20(26)29-15-16-9-6-5-7-10-16/h5-7,9-10,17-18H,8,11-15H2,1-4H3,(H,23,26)/t17?,18-/m0/s1

Composition: C (62.84%), H (7.67%), N (6.66%), O (22.83%)

Molar Mass: 420.506

Atom Count: 62

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	420.226036758
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BRROATQELOFYBR-ZVAWYAOSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.77
Topological Polar Surface Area	94.17
Polarizability	43.68
Ring Count	2
Rotatable Bond Count	10

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