Text Search
Structure Search

(1R,5S)-8-(tert-butoxycarbonyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid

(1R,5S)-8-(tert-butoxycarbonyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid

CAS: 1222996-05-5

Formula: C13H21NO4

SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CC(C2)C(O)=O

IUPAC: (1R,5S)-8-[(tert-butoxy)carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid

InChI: InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9-4-5-10(14)7-8(6-9)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8?,9-,10+

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 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HKXICUDOIXLKLJ-PBINXNQUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.95
Topological Polar Surface Area 66.84
Polarizability 25.7
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1222996-05-5 $139.73-$3,575.93$139.73$235.98$633.42$3,575.93
Request Quote
AA BLOCKS INC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1222996-05-5 $169.05-$676.20$169.05$271.40$450.80$676.20
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1222996-05-5 $189.15-$779.30$189.15$302.64$504.40$779.30
Request Quote