1-tert-butyl 2-methyl (2S,4S)-4-{[(4-fluorophenyl)methyl]amino}pyrrolidine-1,2-dicarboxylate

1-tert-butyl 2-methyl (2S,4S)-4-{[(4-fluorophenyl)methyl]amino}pyrrolidine-1,2-dicarboxylate

CAS: 1186652-76-5

Formula: C18H25FN2O4

SMILES: COC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)NCC1=CC=C(F)C=C1

IUPAC: 1-tert-butyl 2-methyl (2S,4S)-4-{[(4-fluorophenyl)methyl]amino}pyrrolidine-1,2-dicarboxylate

InChI: InChI=1S/C18H25FN2O4/c1-18(2,3)25-17(23)21-11-14(9-15(21)16(22)24-4)20-10-12-5-7-13(19)8-6-12/h5-8,14-15,20H,9-11H2,1-4H3/t14-,15-/m0/s1

Composition: C (61.35%), H (7.15%), F (5.39%), N (7.95%), O (18.16%)

Molar Mass: 352.406

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	352.179835456
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BPYVRAWLYXUOPH-GJZGRUSLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.41
Topological Polar Surface Area	67.87
Polarizability	35.61
Ring Count	2
Rotatable Bond Count	7

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