methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate

C12H14FNO4 — CID 43609465

IUPACmethyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)COc1cccc(F)c1C(N)=O
InChIInChI=1S/C12H14FNO4/c1-7(12(16)17-2)6-18-9-5-3-4-8(13)10(9)11(14)15/h3-5,7H,6H2,1-2H3,(H2,14,15)
InChIKeyKLPZLBOVWXNEFB-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.11
Rot. Bonds5

About methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate

methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate (PubChem CID 43609465) has the molecular formula C12H14FNO4 and a molecular weight of 255.25 g/mol. Its IUPAC name is methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
PubChem CID43609465
Molecular FormulaC12H14FNO4
Molecular Weight255.25 g/mol
Exact Mass255.09
IUPAC Namemethyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)COc1cccc(F)c1C(N)=O
InChIInChI=1S/C12H14FNO4/c1-7(12(16)17-2)6-18-9-5-3-4-8(13)10(9)11(14)15/h3-5,7H,6H2,1-2H3,(H2,14,15)
InChIKeyKLPZLBOVWXNEFB-UHFFFAOYSA-N
XLogP1.11
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate
CID 65441606
2-(2,2-diethoxyethoxy)-6-fluorobenzamide
CID 63630436
3-(2-carbamothioyl-3-fluorophenoxy)-2-methylpropanamide
CID 43609488
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate
CID 65443788
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
CID 62032914
2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide
CID 63571062
methyl 2-[(2-fluorophenoxy)methyl]-3-methylbutanoate
CID 117242489
methyl 3-(2-acetamidophenoxy)-2-methylpropanoate
CID 43537861
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
CID 43537890

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate?
The IUPAC name of methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate (CID 43609465) is methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate is COC(=O)C(C)COc1cccc(F)c1C(N)=O.
What is the InChIKey of methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate?
The InChIKey is KLPZLBOVWXNEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-7(12(16)17-2)6-18-9-5-3-4-8(13)10(9)11(14)15/h3-5,7H,6H2,1-2H3,(H2,14,15).
What are the key properties of methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate?
methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate has a molecular weight of 255.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 43609465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).