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(1R,2S,5S)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

(1R,2S,5S)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

CAS: 1051393-66-8

Formula: C11H17NO4

SMILES: CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@H]1C(O)=O

IUPAC: (1R,2S,5S)-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

InChI: InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-5-6-4-7(6)8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8+/m1/s1

Composition: C (58.14%), H (7.54%), N (6.16%), O (28.16%)

Molar Mass: 227.26

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 227.115758031
Formal Charge 0
FSP3 0.82
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RTWMQNSZCUYSJJ-PRJMDXOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.6
Topological Polar Surface Area 66.84
Polarizability 22.05
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1051393-66-8 $181.58-$2,455.17$181.58$286.25$546.01$818.39$2,455.17
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