methyl (2S,4S)-4-(4-ethyl-2-methoxyphenoxy)pyrrolidine-2-carboxylate

methyl (2S,4S)-4-(4-ethyl-2-methoxyphenoxy)pyrrolidine-2-carboxylate

CAS: 1217859-12-5

Formula: C15H21NO4

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

IUPAC: methyl (2S,4S)-4-(4-ethyl-2-methoxyphenoxy)pyrrolidine-2-carboxylate

InChI: InChI=1S/C15H21NO4/c1-4-10-5-6-13(14(7-10)18-2)20-11-8-12(16-9-11)15(17)19-3/h5-7,11-12,16H,4,8-9H2,1-3H3/t11-,12-/m0/s1

Composition: C (64.50%), H (7.58%), N (5.01%), O (22.91%)

Molar Mass: 279.336

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	279.14705816
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CQUWNLDWSCPPBP-RYUDHWBXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.52
Topological Polar Surface Area	56.79
Polarizability	29.75
Ring Count	2
Rotatable Bond Count	6

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