tert-butyl N-(azetidin-3-yl)carbamate

tert-butyl N-(azetidin-3-yl)carbamate

CAS: 91188-13-5

Formula: C8H16N2O2

SMILES: CC(C)(C)OC(=O)NC1CNC1

IUPAC: tert-butyl N-(azetidin-3-yl)carbamate

InChI: InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H,10,11)

Composition: C (55.79%), H (9.36%), N (16.27%), O (18.58%)

Molar Mass: 172.228

Atom Count: 28

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	172.121177763
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	NEMXVXVJGXZDRR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.22
Topological Polar Surface Area	50.36
Polarizability	18.18
Ring Count	1
Rotatable Bond Count	3

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