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benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate

benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate

CAS: 169900-03-2

Formula: C12H16N2O3

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

IUPAC: benzyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate

InChI: InChI=1S/C12H16N2O3/c13-10-6-14(7-11(10)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8,13H2/t10-,11-/m1/s1

Composition: C (61.00%), H (6.83%), N (11.86%), O (20.31%)

Molar Mass: 236.271

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 236.116092383
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IXPLJRREJIUKLG-GHMZBOCLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.11
Topological Polar Surface Area 75.79
Polarizability 24.71
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 169900-03-2 $227.70-$4,597.70$227.70$342.70$457.70$687.70$1,147.70$4,597.70
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