[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate

C13H16N2O5 — CID 7776199

IUPAC[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)COC)c1ccccc1
InChIInChI=1S/C13H16N2O5/c1-14-13(18)15-12(17)11(20-10(16)8-19-2)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H2,14,15,17,18)/t11-/m1/s1
InChIKeyVQLYSYXUPUSKCQ-LLVKDONJSA-N
MW280.28 g/mol
LogP0.37
Rot. Bonds5

About [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate (PubChem CID 7776199) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate
PubChem CID7776199
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)COC)c1ccccc1
InChIInChI=1S/C13H16N2O5/c1-14-13(18)15-12(17)11(20-10(16)8-19-2)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H2,14,15,17,18)/t11-/m1/s1
InChIKeyVQLYSYXUPUSKCQ-LLVKDONJSA-N
XLogP0.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
CID 7228141
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-fluorophenoxy)acetate
CID 7842430
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722501
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate
CID 7845033
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853562
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate
CID 8524352
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-chlorophenoxy)acetate
CID 7804009
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676495
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229689
1-O-methyl 4-O-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] benzene-1,4-dicarboxylate
CID 7239688
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-methoxyphenyl)acetate
CID 7840289
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234853

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate?
The IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate (CID 7776199) is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate.
What is the SMILES notation for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate?
The canonical SMILES for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate is CNC(=O)NC(=O)[C@H](OC(=O)COC)c1ccccc1.
What is the InChIKey of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate?
The InChIKey is VQLYSYXUPUSKCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-14-13(18)15-12(17)11(20-10(16)8-19-2)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H2,14,15,17,18)/t11-/m1/s1.
What are the key properties of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate?
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate has a molecular weight of 280.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate is sourced from PubChem (CID 7776199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).