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methyl 3-[(tert-butoxycarbonyl)amino]-5-fluoro-4-oxopentanoate

methyl 3-[(tert-butoxycarbonyl)amino]-5-fluoro-4-oxopentanoate

CAS: 634911-80-1

Formula: C11H18FNO5

SMILES: COC(=O)CC(NC(=O)OC(C)(C)C)C(=O)CF

IUPAC: methyl 3-{[(tert-butoxy)carbonyl]amino}-5-fluoro-4-oxopentanoate

InChI: InChI=1/C11H18FNO5/c1-11(2,3)18-10(16)13-7(8(14)6-12)5-9(15)17-4/h7H,5-6H2,1-4H3,(H,13,16)

Composition: C (50.19%), H (6.89%), F (7.22%), N (5.32%), O (30.39%)

Molar Mass: 263.265

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 263.116900847
Formal Charge 0
FSP3 0.73
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MXOOUCRHWJYCAL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.74
Topological Polar Surface Area 81.7
Polarizability 23.67
Ring Count 0
Rotatable Bond Count 8

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