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1-tert-butyl 3-methyl (3R,4R)-4-methylpyrrolidine-1,3-dicarboxylate

1-tert-butyl 3-methyl (3R,4R)-4-methylpyrrolidine-1,3-dicarboxylate

CAS: 1821727-20-1

Formula: C12H21NO4

SMILES: COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 3-methyl (3R,4R)-4-methylpyrrolidine-1,3-dicarboxylate

InChI: InChI=1S/C12H21NO4/c1-8-6-13(7-9(8)10(14)16-5)11(15)17-12(2,3)4/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1

Composition: C (59.24%), H (8.70%), N (5.76%), O (26.30%)

Molar Mass: 243.303

Atom Count: 38

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 243.14705816
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SLOLMQZWHOQIEZ-IUCAKERBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.56
Topological Polar Surface Area 55.84
Polarizability 24.82
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1821727-20-1 $248.71-$3,171.52$248.71$311.36$477.79$684.42$1,927.97$3,171.52
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1821727-20-1 $372.00-$1,262.26$372.00$683.46$1,262.26
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