2,4-dimethyl (2R,4R)-1-benzylazetidine-2,4-dicarboxylate

2,4-dimethyl (2R,4R)-1-benzylazetidine-2,4-dicarboxylate

CAS: 121049-91-0

Formula: C14H17NO4

SMILES: COC(=O)[C@H]1C[C@@H](N1CC1=CC=CC=C1)C(=O)OC

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

InChI: InChI=1S/C14H17NO4/c1-18-13(16)11-8-12(14(17)19-2)15(11)9-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-,12-/m1/s1

Composition: C (63.87%), H (6.51%), N (5.32%), O (24.31%)

Molar Mass: 263.293

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	263.115758031
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	COJVYCMOVXNWAM-VXGBXAGGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.7
Topological Polar Surface Area	55.84
Polarizability	27.4
Ring Count	2
Rotatable Bond Count	6

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