tert-butyl (2S)-2-(2-cyanoacetyl)piperidine-1-carboxylate

tert-butyl (2S)-2-(2-cyanoacetyl)piperidine-1-carboxylate

CAS: 1260587-50-5

Formula: C13H20N2O3

SMILES: CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)CC#N

IUPAC: tert-butyl (2S)-2-(2-cyanoacetyl)piperidine-1-carboxylate

InChI: InChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-9-5-4-6-10(15)11(16)7-8-14/h10H,4-7,9H2,1-3H3/t10-/m0/s1

Composition: C (61.88%), H (7.99%), N (11.10%), O (19.02%)

Molar Mass: 252.314

Atom Count: 38

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	252.147392512
Formal Charge	0
FSP3	0.77
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AFOBTHPZYTZXOH-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.53
Topological Polar Surface Area	70.4
Polarizability	25.81
Ring Count	1
Rotatable Bond Count	4

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