tert-butyl (3S)-3-cyanomorpholine-4-carboxylate

tert-butyl (3S)-3-cyanomorpholine-4-carboxylate

CAS: 1257856-86-2

Formula: C10H16N2O3

SMILES: CC(C)(C)OC(=O)N1CCOC[C@@H]1C#N

IUPAC: tert-butyl (3S)-3-cyanomorpholine-4-carboxylate

InChI: InChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)12-4-5-14-7-8(12)6-11/h8H,4-5,7H2,1-3H3/t8-/m0/s1

Composition: C (56.59%), H (7.60%), N (13.20%), O (22.61%)

Molar Mass: 212.249

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	212.116092383
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QSBSEJKNKHZYKD-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.57
Topological Polar Surface Area	62.56
Polarizability	20.93
Ring Count	1
Rotatable Bond Count	2

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