ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate

C14H26FNO4 — CID 134521940

IUPACethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCCOC(=O)C(CC(C)(C)F)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26FNO4/c1-8-19-11(17)10(9-14(5,6)15)16(7)12(18)20-13(2,3)4/h10H,8-9H2,1-7H3
InChIKeyIDFMYRAEHOXQHY-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.92
Rot. Bonds5

About ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate

ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (PubChem CID 134521940) has the molecular formula C14H26FNO4 and a molecular weight of 291.36 g/mol. Its IUPAC name is ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
PubChem CID134521940
Molecular FormulaC14H26FNO4
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Nameethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCCOC(=O)C(CC(C)(C)F)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26FNO4/c1-8-19-11(17)10(9-14(5,6)15)16(7)12(18)20-13(2,3)4/h10H,8-9H2,1-7H3
InChIKeyIDFMYRAEHOXQHY-UHFFFAOYSA-N
XLogP2.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The IUPAC name of ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (CID 134521940) is ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.
What is the SMILES notation for ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The canonical SMILES for ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is CCOC(=O)C(CC(C)(C)F)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The InChIKey is IDFMYRAEHOXQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO4/c1-8-19-11(17)10(9-14(5,6)15)16(7)12(18)20-13(2,3)4/h10H,8-9H2,1-7H3.
What are the key properties of ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate has a molecular weight of 291.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is sourced from PubChem (CID 134521940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).