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tert-butyl (3R,4S)-3-amino-4-methylpyrrolidine-1-carboxylate; tert-butyl (3S,4R)-3-amino-4-methylpyrrolidine-1-carboxylate

tert-butyl (3R,4S)-3-amino-4-methylpyrrolidine-1-carboxylate; tert-butyl (3S,4R)-3-amino-4-methylpyrrolidine-1-carboxylate

CAS: 1152113-30-8

Formula: C20H40N4O4

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

IUPAC: tert-butyl (3R,4S)-3-amino-4-methylpyrrolidine-1-carboxylate; tert-butyl (3S,4R)-3-amino-4-methylpyrrolidine-1-carboxylate

InChI: InChI=1S/2C10H20N2O2/c2*1-7-5-12(6-8(7)11)9(13)14-10(2,3)4/h2*7-8H,5-6,11H2,1-4H3/t2*7-,8-/m10/s1

Composition: C (59.97%), H (10.07%), N (13.99%), O (15.98%)

Molar Mass: 400.564

Atom Count: 68

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 400.304955784
Formal Charge 0
FSP3 0.9
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey UBQHSRBRPTVJKK-SRPOWUSQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.62
Topological Polar Surface Area 55.56
Polarizability 21.85
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 1152113-30-8 $176.90-$1,088.18$176.90$363.78$1,088.18
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