tert-butyl (1R,5S)-6-acetyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (1R,5S)-6-acetyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

CAS: 1245645-37-7

Formula: C12H19NO3

SMILES: CC(=O)C1[C@H]2CN(C[C@@H]12)C(=O)OC(C)(C)C

IUPAC: tert-butyl (1R,5S)-6-acetyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

InChI: InChI=1S/C12H19NO3/c1-7(14)10-8-5-13(6-9(8)10)11(15)16-12(2,3)4/h8-10H,5-6H2,1-4H3/t8-,9+,10?

Composition: C (63.98%), H (8.50%), N (6.22%), O (21.30%)

Molar Mass: 225.288

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	225.136493476
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZWCSPNASTQNGJH-ULKQDVFKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.56
Topological Polar Surface Area	46.61
Polarizability	23.38
Ring Count	2
Rotatable Bond Count	3

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