benzyl (3S)-3-{[2-(tert-butoxy)-2-oxoethyl]amino}pyrrolidine-1-carboxylate

benzyl (3S)-3-{[2-(tert-butoxy)-2-oxoethyl]amino}pyrrolidine-1-carboxylate

CAS: 1412254-93-3

Formula: C18H26N2O4

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

IUPAC: benzyl (3S)-3-{[2-(tert-butoxy)-2-oxoethyl]amino}pyrrolidine-1-carboxylate

InChI: InChI=1S/C18H26N2O4/c1-18(2,3)24-16(21)11-19-15-9-10-20(12-15)17(22)23-13-14-7-5-4-6-8-14/h4-8,15,19H,9-13H2,1-3H3/t15-/m0/s1

Composition: C (64.65%), H (7.84%), N (8.38%), O (19.14%)

Molar Mass: 334.416

Atom Count: 50

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	334.189257325
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MBSYWMONJPRAFX-HNNXBMFYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.45
Topological Polar Surface Area	67.87
Polarizability	35.9
Ring Count	2
Rotatable Bond Count	8

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