tert-butyl (2S)-1-benzyl-5-oxopyrrolidine-2-carboxylate

tert-butyl (2S)-1-benzyl-5-oxopyrrolidine-2-carboxylate

CAS: 90741-27-8

Formula: C16H21NO3

SMILES: CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1CC1=CC=CC=C1

IUPAC: tert-butyl (2S)-1-benzyl-5-oxopyrrolidine-2-carboxylate

InChI: InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)13-9-10-14(18)17(13)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1

Composition: C (69.79%), H (7.69%), N (5.09%), O (17.43%)

Molar Mass: 275.348

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	275.15214354
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RDRWNJRTLCECMB-ZDUSSCGKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.17
Topological Polar Surface Area	46.61
Polarizability	29.99
Ring Count	2
Rotatable Bond Count	5

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