1-benzyl 2-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate

1-benzyl 2-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate

CAS: 16881-39-3

Formula: C17H23NO4

SMILES: CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1

IUPAC: 1-benzyl 2-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate

InChI: InChI=1S/C17H23NO4/c1-17(2,3)22-15(19)14-10-7-11-18(14)16(20)21-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3/t14-/m0/s1

Composition: C (66.86%), H (7.59%), N (4.59%), O (20.96%)

Molar Mass: 305.374

Atom Count: 45

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	305.162708225
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OULMZZGGALAOLR-AWEZNQCLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.44
Topological Polar Surface Area	55.84
Polarizability	32.53
Ring Count	2
Rotatable Bond Count	6

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