methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate

C14H18FNO4 — CID 175439748

IUPACmethyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C14H18FNO4/c1-14(2,3)20-13(18)11(16)9-6-5-8(15)7-10(9)12(17)19-4/h5-7,11H,16H2,1-4H3
InChIKeyWIHHEZZTRKKMFK-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.95
Rot. Bonds3

About methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate

methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate (PubChem CID 175439748) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate
PubChem CID175439748
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C14H18FNO4/c1-14(2,3)20-13(18)11(16)9-6-5-8(15)7-10(9)12(17)19-4/h5-7,11H,16H2,1-4H3
InChIKeyWIHHEZZTRKKMFK-UHFFFAOYSA-N
XLogP1.95
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate?
The IUPAC name of methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate (CID 175439748) is methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate.
What is the SMILES notation for methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate?
The canonical SMILES for methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate is COC(=O)c1cc(F)ccc1C(N)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate?
The InChIKey is WIHHEZZTRKKMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-14(2,3)20-13(18)11(16)9-6-5-8(15)7-10(9)12(17)19-4/h5-7,11H,16H2,1-4H3.
What are the key properties of methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate?
methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate has a molecular weight of 283.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-fluorobenzoate is sourced from PubChem (CID 175439748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).