tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C14H26FNO4 — CID 11833181

IUPACtert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCN(C(=O)OC(C)(C)C)C(C)(CF)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26FNO4/c1-12(2,3)19-10(17)14(7,9-15)16(8)11(18)20-13(4,5)6/h9H2,1-8H3
InChIKeyLUOKWBJAXSLBHC-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.92
Rot. Bonds3

About tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 11833181) has the molecular formula C14H26FNO4 and a molecular weight of 291.36 g/mol. Its IUPAC name is tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID11833181
Molecular FormulaC14H26FNO4
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Nametert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCN(C(=O)OC(C)(C)C)C(C)(CF)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26FNO4/c1-12(2,3)19-10(17)14(7,9-15)16(8)11(18)20-13(4,5)6/h9H2,1-8H3
InChIKeyLUOKWBJAXSLBHC-UHFFFAOYSA-N
XLogP2.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[(Tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoic acid
CID 2734752
Ethyl 2-{bis[(tert-butoxy)carbonyl]amino}-2-fluoroacetate
CID 13594882
Tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetate
CID 14859121
Methyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 60031899
Tert-butyl 2-[carbonofluoridoyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 143116885
tert-Butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 139068685
tertbutyl N-boc-iodoalaninate
CID 171904778
Methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 84727078
3,3,3-Trifluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 106523381
Methyl 2-{[(tert-butoxy)carbonyl](2-fluoroethyl)amino}propanoate
CID 165910353
ethyl (2R)-2-fluoro-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 177591606
methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 15228381

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 11833181) is tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CN(C(=O)OC(C)(C)C)C(C)(CF)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is LUOKWBJAXSLBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO4/c1-12(2,3)19-10(17)14(7,9-15)16(8)11(18)20-13(4,5)6/h9H2,1-8H3.
What are the key properties of tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 291.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 11833181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).