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benzyl 3-[(tert-butoxycarbonyl)amino]-4-hydroxypyrrolidine-1-carboxylate

benzyl 3-[(tert-butoxycarbonyl)amino]-4-hydroxypyrrolidine-1-carboxylate

CAS: 1415564-73-6

Formula: C17H24N2O5

SMILES: CC(C)(C)OC(=O)NC1CN(CC1O)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-{[(tert-butoxy)carbonyl]amino}-4-hydroxypyrrolidine-1-carboxylate

InChI: InChI=1/C17H24N2O5/c1-17(2,3)24-15(21)18-13-9-19(10-14(13)20)16(22)23-11-12-7-5-4-6-8-12/h4-8,13-14,20H,9-11H2,1-3H3,(H,18,21)

Composition: C (60.70%), H (7.19%), N (8.33%), O (23.78%)

Molar Mass: 336.388

Atom Count: 48

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 336.168521881
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CMXBVXJSFDXHTE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.98
Topological Polar Surface Area 88.1
Polarizability 34.33
Ring Count 2
Rotatable Bond Count 6

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