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benzyl (3S,5S)-3-amino-5-hydroxypiperidine-1-carboxylate

benzyl (3S,5S)-3-amino-5-hydroxypiperidine-1-carboxylate

CAS: 2381636-14-0

Formula: C13H18N2O3

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

IUPAC: benzyl (3S,5S)-3-amino-5-hydroxypiperidine-1-carboxylate

InChI: InChI=1S/C13H18N2O3/c14-11-6-12(16)8-15(7-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2/t11-,12-/m0/s1

Composition: C (62.38%), H (7.25%), N (11.19%), O (19.18%)

Molar Mass: 250.298

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 250.131742448
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XNKUUGNEYNGZGJ-RYUDHWBXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.97
Topological Polar Surface Area 75.79
Polarizability 26.54
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2381636-14-0 $631.35-$7,912.00$631.35$1,147.70$2,162.00$7,912.00
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