tert-butyl 3-amino-3-cyanopyrrolidine-1-carboxylate

tert-butyl 3-amino-3-cyanopyrrolidine-1-carboxylate

CAS: 871115-54-7

Formula: C10H17N3O2

SMILES: CC(C)(C)OC(=O)N1CCC(N)(C1)C#N

IUPAC: tert-butyl 3-amino-3-cyanopyrrolidine-1-carboxylate

InChI: InChI=1/C10H17N3O2/c1-9(2,3)15-8(14)13-5-4-10(12,6-11)7-13/h4-5,7,12H2,1-3H3

Composition: C (56.85%), H (8.11%), N (19.89%), O (15.15%)

Molar Mass: 211.265

Atom Count: 32

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	211.132076799
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NFLVTBMZGLRSPT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.31
Topological Polar Surface Area	79.35
Polarizability	21.73
Ring Count	1
Rotatable Bond Count	2

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