methyl (2S,4S)-4-(3-ethylphenoxy)pyrrolidine-2-carboxylate

methyl (2S,4S)-4-(3-ethylphenoxy)pyrrolidine-2-carboxylate

CAS: 1217668-92-2

Formula: C14H19NO3

SMILES: CCC1=CC=CC(O[C@@H]2CN[C@@H](C2)C(=O)OC)=C1

IUPAC: methyl (2S,4S)-4-(3-ethylphenoxy)pyrrolidine-2-carboxylate

InChI: InChI=1S/C14H19NO3/c1-3-10-5-4-6-11(7-10)18-12-8-13(15-9-12)14(16)17-2/h4-7,12-13,15H,3,8-9H2,1-2H3/t12-,13-/m0/s1

Composition: C (67.45%), H (7.68%), N (5.62%), O (19.25%)

Molar Mass: 249.31

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	249.136493476
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LGVRHOKWEBHYDD-STQMWFEESA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.05
Topological Polar Surface Area	47.56
Polarizability	27.22
Ring Count	2
Rotatable Bond Count	5

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