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(1R,2S,5S)-3-(tert-butoxycarbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

(1R,2S,5S)-3-(tert-butoxycarbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

CAS: 219754-02-6

Formula: C13H21NO4

SMILES: CC(C)(C)OC(=O)N1C[C@H]2[C@@H]([C@H]1C(O)=O)C2(C)C

IUPAC: (1R,2S,5S)-3-[(tert-butoxy)carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

InChI: InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-7-8(13(7,4)5)9(14)10(15)16/h7-9H,6H2,1-5H3,(H,15,16)/t7-,8-,9-/m0/s1

Composition: C (61.16%), H (8.29%), N (5.49%), O (25.07%)

Molar Mass: 255.314

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 255.14705816
Formal Charge 0
FSP3 0.85
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MFBZMDIQWYXOSP-CIUDSAMLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.62
Topological Polar Surface Area 66.84
Polarizability 25.7
Ring Count 2
Rotatable Bond Count 3

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Shanghai AQ BioPharma Co., Ltd.
Purity LeadTime CAS UnitPrice
97% <8 Days 219754-02-6 Quote Only
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 219754-02-6 $132.41-$2,273.58$132.41$220.68$308.95$441.35$1,364.40$2,273.58
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