tert-butyl (3S)-3-(cyanomethyl)pyrrolidine-1-carboxylate

tert-butyl (3S)-3-(cyanomethyl)pyrrolidine-1-carboxylate

CAS: 1187931-76-5

Formula: C11H18N2O2

SMILES: CC(C)(C)OC(=O)N1CC[C@@H](CC#N)C1

IUPAC: tert-butyl (3S)-3-(cyanomethyl)pyrrolidine-1-carboxylate

InChI: InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-5,7-8H2,1-3H3/t9-/m1/s1

Composition: C (62.83%), H (8.63%), N (13.32%), O (15.22%)

Molar Mass: 210.277

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	210.136827828
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IPLBXZOFLWOERN-SECBINFHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.95
Topological Polar Surface Area	53.33
Polarizability	22.03
Ring Count	1
Rotatable Bond Count	3

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97%	<2 Days	1187931-76-5		$165.60-$3,447.70$165.60$216.20$316.25$516.35$917.70$3,447.70