tert-butyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

tert-butyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

CAS: 1111202-76-6

Formula: C12H22N2O4

SMILES: CCOC(=O)CC1(N)CN(C1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

InChI: InChI=1S/C12H22N2O4/c1-5-17-9(15)6-12(13)7-14(8-12)10(16)18-11(2,3)4/h5-8,13H2,1-4H3

Composition: C (55.80%), H (8.58%), N (10.84%), O (24.77%)

Molar Mass: 258.318

Atom Count: 40

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	258.157957196
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XPXLMLCRLYNVBC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.53
Topological Polar Surface Area	81.86
Polarizability	26.35
Ring Count	1
Rotatable Bond Count	6

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