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2-[(tert-butoxycarbonyl)amino]-5-methoxy-5-oxopentanoic acid

2-[(tert-butoxycarbonyl)amino]-5-methoxy-5-oxopentanoic acid

CAS: 112159-16-7

Formula: C11H19NO6

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

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-5-methoxy-5-oxopentanoic acid

InChI: InChI=1/C11H19NO6/c1-11(2,3)18-10(16)12-7(9(14)15)5-6-8(13)17-4/h7H,5-6H2,1-4H3,(H,12,16)(H,14,15)

Composition: C (50.57%), H (7.33%), N (5.36%), O (36.74%)

Molar Mass: 261.274

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 261.121237336
Formal Charge 0
FSP3 0.73
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey OHYMUFVCRVPMEY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.93
Topological Polar Surface Area 101.93
Polarizability 24.36
Ring Count 0
Rotatable Bond Count 8

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