benzyl (3S,4S)-3-amino-4-hydroxypiperidine-1-carboxylate

benzyl (3S,4S)-3-amino-4-hydroxypiperidine-1-carboxylate

CAS: 167832-26-0

Formula: C13H18N2O3

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

IUPAC: benzyl (3S,4S)-3-amino-4-hydroxypiperidine-1-carboxylate

InChI: InChI=1S/C13H18N2O3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2/t11-,12+/m1/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	VKBBZJXAWNVLSE-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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