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methyl (2S,4S)-4-{[(benzyloxy)carbonyl]amino}pyrrolidine-2-carboxylate dihydrochloride

methyl (2S,4S)-4-{[(benzyloxy)carbonyl]amino}pyrrolidine-2-carboxylate dihydrochloride

CAS: 1279038-33-3

Formula: C14H20Cl2N2O4

SMILES: Cl.Cl.COC(=O)[C@@H]1C[C@@H](CN1)NC(=O)OCC1=CC=CC=C1

IUPAC: methyl (2S,4S)-4-{[(benzyloxy)carbonyl]amino}pyrrolidine-2-carboxylate dihydrochloride

InChI: InChI=1S/C14H18N2O4.2ClH/c1-19-13(17)12-7-11(8-15-12)16-14(18)20-9-10-5-3-2-4-6-10;;/h2-6,11-12,15H,7-9H2,1H3,(H,16,18);2*1H/t11-,12-;;/m0../s1

Composition: C (47.88%), H (5.74%), Cl (20.19%), N (7.98%), O (18.22%)

Molar Mass: 351.22

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 350.0800125
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HQUSUWARFWJKPL-AQEKLAMFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.49
Topological Polar Surface Area 76.66
Polarizability 28.55
Ring Count 2
Rotatable Bond Count 6

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