1-tert-butyl 3-ethyl (3R,4S)-4-{[(benzyloxy)carbonyl]amino}pyrrolidine-1,3-dicarboxylate

1-tert-butyl 3-ethyl (3R,4S)-4-{[(benzyloxy)carbonyl]amino}pyrrolidine-1,3-dicarboxylate

CAS: 267230-42-2

Formula: C20H28N2O6

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

IUPAC: 1-tert-butyl 3-ethyl (3R,4S)-4-{[(benzyloxy)carbonyl]amino}pyrrolidine-1,3-dicarboxylate

InChI: InChI=1S/C20H28N2O6/c1-5-26-17(23)15-11-22(19(25)28-20(2,3)4)12-16(15)21-18(24)27-13-14-9-7-6-8-10-14/h6-10,15-16H,5,11-13H2,1-4H3,(H,21,24)/t15-,16-/m1/s1

Composition: C (61.21%), H (7.19%), N (7.14%), O (24.46%)

Molar Mass: 392.452

Atom Count: 56

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	392.19473663
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MEQCTPZKRZQXNE-HZPDHXFCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.38
Topological Polar Surface Area	94.17
Polarizability	40.01
Ring Count	2
Rotatable Bond Count	9

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