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

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

CAS: 148214-90-8

Formula: C18H36N4O6

SMILES: CC(C)(C)OC(=O)N1C[C@H](N)[C@@H](O)C1.CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1

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

InChI: InChI=1S/2C9H18N2O3/c2*1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h2*6-7,12H,4-5,10H2,1-3H3/t2*6-,7-/m10/s1

Composition: C (53.45%), H (8.97%), N (13.85%), O (23.73%)

Molar Mass: 404.508

Atom Count: 64

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 404.263484895
Formal Charge 0
FSP3 0.89
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey APVCEEBLUSZBPJ-IBPYSEMRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.3
Topological Polar Surface Area 75.79
Polarizability 20.67
Ring Count 2
Rotatable Bond Count 4

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