tert-butyl (3S)-3-acetylpyrrolidine-1-carboxylate

tert-butyl (3S)-3-acetylpyrrolidine-1-carboxylate

CAS: 1374673-89-8

Formula: C11H19NO3

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

IUPAC: tert-butyl (3S)-3-acetylpyrrolidine-1-carboxylate

InChI: InChI=1S/C11H19NO3/c1-8(13)9-5-6-12(7-9)10(14)15-11(2,3)4/h9H,5-7H2,1-4H3/t9-/m0/s1

Composition: C (61.95%), H (8.98%), N (6.57%), O (22.50%)

Molar Mass: 213.277

Atom Count: 34

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	213.136493476
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WTNNGFYIEBJFPX-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.87
Topological Polar Surface Area	46.61
Polarizability	22.26
Ring Count	1
Rotatable Bond Count	3

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