2,4-diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate

2,4-diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate

CAS: 174309-28-5

Formula: C16H21NO4

SMILES: CCOC(=O)[C@H]1C[C@H](N1CC1=CC=CC=C1)C(=O)OCC

IUPAC: 2,4-diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate

InChI: InChI=1S/C16H21NO4/c1-3-20-15(18)13-10-14(16(19)21-4-2)17(13)11-12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3/t13-,14+

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	2
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	DXLXLBWDINXHBH-OKILXGFUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.19
Topological Polar Surface Area	55.84
Polarizability	31.08
Ring Count	2
Rotatable Bond Count	8

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