tert-butyl 2-{[2-(tert-butoxy)-2-oxoethyl]amino}acetate

tert-butyl 2-{[2-(tert-butoxy)-2-oxoethyl]amino}acetate

CAS: 85916-13-8

Formula: C12H23NO4

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

IUPAC: tert-butyl 2-{[2-(tert-butoxy)-2-oxoethyl]amino}acetate

InChI: InChI=1S/C12H23NO4/c1-11(2,3)16-9(14)7-13-8-10(15)17-12(4,5)6/h13H,7-8H2,1-6H3

Composition: C (58.75%), H (9.45%), N (5.71%), O (26.09%)

Molar Mass: 245.319

Atom Count: 40

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	245.162708225
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SMXMBXPLRFTROI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.01
Topological Polar Surface Area	64.63
Polarizability	25.92
Ring Count	0
Rotatable Bond Count	8

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