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2-[(tert-butoxycarbonyl)amino]-2-ethylbutanoic acid

2-[(tert-butoxycarbonyl)amino]-2-ethylbutanoic acid

CAS: 139937-99-8

Formula: C11H21NO4

SMILES: CCC(CC)(NC(=O)OC(C)(C)C)C(O)=O

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

InChI: InChI=1S/C11H21NO4/c1-6-11(7-2,8(13)14)12-9(15)16-10(3,4)5/h6-7H2,1-5H3,(H,12,15)(H,13,14)

Composition: C (57.12%), H (9.15%), N (6.06%), O (27.67%)

Molar Mass: 231.292

Atom Count: 37

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 231.14705816
Formal Charge 0
FSP3 0.82
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BYPQXUYSPTXBGE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.13
Topological Polar Surface Area 75.63
Polarizability 23.47
Ring Count 0
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 139937-99-8 $86.40-$387.84$86.40$129.60$387.84
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97% <7 Days 139937-99-8 $108.68-$480.24$108.68$161.46$480.24
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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 139937-99-8 $164.45-$645.15$164.45$184.00$249.55$645.15
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