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8-[(tert-butoxycarbonyl)amino]cubane-1-carboxylic acid

8-[(tert-butoxycarbonyl)amino]cubane-1-carboxylic acid

Formula: C14H17NO4

SMILES: CC(C)(C)OC(=O)NC12C3C4C1C1C2C3C41C(O)=O

IUPAC: 8-{[(tert-butoxy)carbonyl]amino}cubane-1-carboxylic acid

InChI: InChI=1S/C14H17NO4/c1-12(2,3)19-11(18)15-14-7-4-8(14)6-9(14)5(7)13(4,6)10(16)17/h4-9H,1-3H3,(H,15,18)(H,16,17)

Composition: C (63.87%), H (6.51%), N (5.32%), O (24.31%)

Molar Mass: 263.293

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 263.115758031
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RQTXWKKAUMSKQA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.35
Topological Polar Surface Area 75.63
Polarizability 25.4
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula UnitPrice
98% <10 Days C14H17NO4 Quote Only