1-tert-butyl 3-methyl (3S,4S)-4-(5,6-dimethoxypyridin-2-yl)pyrrolidine-1,3-dicarboxylate

1-tert-butyl 3-methyl (3S,4S)-4-(5,6-dimethoxypyridin-2-yl)pyrrolidine-1,3-dicarboxylate

CAS: 1217674-57-1

Formula: C18H26N2O6

SMILES: [H][C@]1(CN(C[C@H]1C(=O)OC)C(=O)OC(C)(C)C)C1=NC(OC)=C(OC)C=C1

IUPAC: 1-tert-butyl 3-methyl (3S,4S)-4-(5,6-dimethoxypyridin-2-yl)pyrrolidine-1,3-dicarboxylate

InChI: InChI=1S/C18H26N2O6/c1-18(2,3)26-17(22)20-9-11(12(10-20)16(21)25-6)13-7-8-14(23-4)15(19-13)24-5/h7-8,11-12H,9-10H2,1-6H3/t11-,12-/m1/s1

Composition: C (59.00%), H (7.15%), N (7.65%), O (26.20%)

Molar Mass: 366.414

Atom Count: 52

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	366.179086565
Formal Charge	0
FSP3	0.61
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	IKYAMTBOXQERHO-VXGBXAGGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.26
Topological Polar Surface Area	87.19
Polarizability	36.75
Ring Count	2
Rotatable Bond Count	7

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