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1-benzyl 2-methyl (2S,4R)-4-[(tert-butoxycarbonyl)amino]pyrrolidine-1,2-dicarboxylate

1-benzyl 2-methyl (2S,4R)-4-[(tert-butoxycarbonyl)amino]pyrrolidine-1,2-dicarboxylate

CAS: 189215-90-5

Formula: C19H26N2O6

SMILES: COC(=O)[C@@H]1C[C@H](CN1C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

IUPAC: 1-benzyl 2-methyl (2S,4R)-4-{[(tert-butoxy)carbonyl]amino}pyrrolidine-1,2-dicarboxylate

InChI: InChI=1S/C19H26N2O6/c1-19(2,3)27-17(23)20-14-10-15(16(22)25-4)21(11-14)18(24)26-12-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3,(H,20,23)/t14-,15+/m1/s1

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 2
Exact Mass 378.179086565
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UVWVPIDBHIWJLK-CABCVRRESA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.48
Topological Polar Surface Area 94.17
Polarizability 38.18
Ring Count 2
Rotatable Bond Count 8

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