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1-benzyl 3-methyl (3S,4R)-4-methoxypyrrolidine-1,3-dicarboxylate

1-benzyl 3-methyl (3S,4R)-4-methoxypyrrolidine-1,3-dicarboxylate

CAS: 2386461-85-2

Formula: C15H19NO5

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

IUPAC: 1-benzyl 3-methyl (3S,4R)-4-methoxypyrrolidine-1,3-dicarboxylate

InChI: InChI=1S/C15H19NO5/c1-19-13-9-16(8-12(13)14(17)20-2)15(18)21-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13-/m0/s1

Composition: C (61.42%), H (6.53%), N (4.78%), O (27.27%)

Molar Mass: 293.319

Atom Count: 40

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 293.126322716
Formal Charge 0
FSP3 0.47
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey CAMFPFKIQZDXSD-STQMWFEESA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.85
Topological Polar Surface Area 65.07
Polarizability 29.58
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS UnitPrice
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95% <5 Days 2386461-85-2 $172.76-$747.77$172.76$291.29$747.77
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