methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate

C13H15FN2O5 — CID 65441606

IUPACmethyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate
SMILESCOC(=O)C(COc1cccc(F)c1C(N)=O)NC(C)=O
InChIInChI=1S/C13H15FN2O5/c1-7(17)16-9(13(19)20-2)6-21-10-5-3-4-8(14)11(10)12(15)18/h3-5,9H,6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyFVQWGMPATGQNHT-UHFFFAOYSA-N
MW298.27 g/mol
LogP-0.02
Rot. Bonds6

About methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate

methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate (PubChem CID 65441606) has the molecular formula C13H15FN2O5 and a molecular weight of 298.27 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate
PubChem CID65441606
Molecular FormulaC13H15FN2O5
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Namemethyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate
SMILESCOC(=O)C(COc1cccc(F)c1C(N)=O)NC(C)=O
InChIInChI=1S/C13H15FN2O5/c1-7(17)16-9(13(19)20-2)6-21-10-5-3-4-8(14)11(10)12(15)18/h3-5,9H,6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyFVQWGMPATGQNHT-UHFFFAOYSA-N
XLogP-0.02
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
CID 43609465
methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate
CID 65443788
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
2-(2,2-diethoxyethoxy)-6-fluorobenzamide
CID 63630436
3-(2-carbamothioyl-3-fluorophenoxy)-2-methylpropanamide
CID 43609488
methyl 2-acetamido-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103288839
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
CID 62032914
methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
CID 65441985
[(2S)-2-[(2,6-difluorobenzoyl)amino]-3-methoxy-3-oxopropyl] 2,6-difluorobenzoate
CID 22212268
2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate (CID 65441606) is methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate is COC(=O)C(COc1cccc(F)c1C(N)=O)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate?
The InChIKey is FVQWGMPATGQNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5/c1-7(17)16-9(13(19)20-2)6-21-10-5-3-4-8(14)11(10)12(15)18/h3-5,9H,6H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate?
methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate has a molecular weight of 298.27 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate is sourced from PubChem (CID 65441606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).