methyl (2S,4S)-4-(4-tert-butylphenoxy)pyrrolidine-2-carboxylate

methyl (2S,4S)-4-(4-tert-butylphenoxy)pyrrolidine-2-carboxylate

CAS: 774221-39-5

Formula: C16H23NO3

SMILES: COC(=O)[C@@H]1C[C@@H](CN1)OC1=CC=C(C=C1)C(C)(C)C

IUPAC: methyl (2S,4S)-4-(4-tert-butylphenoxy)pyrrolidine-2-carboxylate

InChI: InChI=1S/C16H23NO3/c1-16(2,3)11-5-7-12(8-6-11)20-13-9-14(17-10-13)15(18)19-4/h5-8,13-14,17H,9-10H2,1-4H3/t13-,14-/m0/s1

Composition: C (69.29%), H (8.36%), N (5.05%), O (17.30%)

Molar Mass: 277.364

Atom Count: 43

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	277.167793605
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MIFXPSCQMOGEAS-KBPBESRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.08
Topological Polar Surface Area	47.56
Polarizability	30.9
Ring Count	2
Rotatable Bond Count	5

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