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2-[(tert-butoxycarbonyl)amino]adamantane-2-carboxylic acid

2-[(tert-butoxycarbonyl)amino]adamantane-2-carboxylic acid

CAS: 1411614-11-3

Formula: C16H25NO4

SMILES: CC(C)(C)OC(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}adamantane-2-carboxylic acid

InChI: InChI=1S/C16H25NO4/c1-15(2,3)21-14(20)17-16(13(18)19)11-5-9-4-10(7-11)8-12(16)6-9/h9-12H,4-8H2,1-3H3,(H,17,20)(H,18,19)

Composition: C (65.06%), H (8.53%), N (4.74%), O (21.67%)

Molar Mass: 295.379

Atom Count: 46

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 295.178358289
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IOLMNXQFNQSBCA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.37
Topological Polar Surface Area 75.63
Polarizability 30.47
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1411614-11-3 $687.70-$4,597.70$687.70$1,147.70$4,597.70
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