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methyl 3-{[(tert-butoxycarbonyl)amino]methyl}bicyclo[1.1.1]pentane-1-carboxylate

methyl 3-{[(tert-butoxycarbonyl)amino]methyl}bicyclo[1.1.1]pentane-1-carboxylate

CAS: 1638768-01-0

Formula: C13H21NO4

SMILES: COC(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)C2

IUPAC: methyl 3-({[(tert-butoxy)carbonyl]amino}methyl)bicyclo[1.1.1]pentane-1-carboxylate

InChI: InChI=1S/C13H21NO4/c1-11(2,3)18-10(16)14-8-12-5-13(6-12,7-12)9(15)17-4/h5-8H2,1-4H3,(H,14,16)

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 0
Exact Mass 255.14705816
Formal Charge 0
FSP3 0.85
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZWDDXONULXBIDW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.84
Topological Polar Surface Area 64.63
Polarizability 25.94
Ring Count 2
Rotatable Bond Count 6

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Purity (%)
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Purity LeadTime CAS UnitPrice
97% <10 Days 1638768-01-0 Quote Only
Custom Synthesis. Higher purity available. Multi gram to multi kg
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1638768-01-0 $306.42-$841.09$306.42$489.27$841.09
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