3,3-diethyl 1-benzylazetidine-3,3-dicarboxylate

3,3-diethyl 1-benzylazetidine-3,3-dicarboxylate

CAS: 642411-11-8

Formula: C16H21NO4

SMILES: CCOC(=O)C1(CN(CC2=CC=CC=C2)C1)C(=O)OCC

IUPAC: 3,3-diethyl 1-benzylazetidine-3,3-dicarboxylate

InChI: InChI=1S/C16H21NO4/c1-3-20-14(18)16(15(19)21-4-2)11-17(12-16)10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3

Composition: C (65.96%), H (7.27%), N (4.81%), O (21.97%)

Molar Mass: 291.347

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	291.14705816
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KGNAKGKJEBUHRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.73
Topological Polar Surface Area	55.84
Polarizability	31.08
Ring Count	2
Rotatable Bond Count	8

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