[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate

C20H20N2O6 — CID 8925530

IUPAC[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate
SMILESCNC(=O)NC(=O)[C@H](C)OC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O6/c1-13(19(25)22-20(26)21-2)28-17(23)12-27-16-10-8-15(9-11-16)18(24)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,21,22,25,26)/t13-/m0/s1
InChIKeyDCDMXJVNDLRQHU-ZDUSSCGKSA-N
MW384.39 g/mol
LogP1.68
Rot. Bonds7

About [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate (PubChem CID 8925530) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate
PubChem CID8925530
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate
SMILESCNC(=O)NC(=O)[C@H](C)OC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O6/c1-13(19(25)22-20(26)21-2)28-17(23)12-27-16-10-8-15(9-11-16)18(24)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,21,22,25,26)/t13-/m0/s1
InChIKeyDCDMXJVNDLRQHU-ZDUSSCGKSA-N
XLogP1.68
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
CID 42898592
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 7841458
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-benzoylphenoxy)acetate
CID 7839628
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751721
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate
CID 8925521
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate
CID 7845033
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7697256
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
1-(4-benzoylphenoxy)-3-methylpentan-2-one
CID 71182680
[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 9060759
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814561
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925625

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate?
The IUPAC name of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate (CID 8925530) is [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate.
What is the SMILES notation for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate?
The canonical SMILES for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate is CNC(=O)NC(=O)[C@H](C)OC(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate?
The InChIKey is DCDMXJVNDLRQHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-13(19(25)22-20(26)21-2)28-17(23)12-27-16-10-8-15(9-11-16)18(24)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,21,22,25,26)/t13-/m0/s1.
What are the key properties of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate?
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate has a molecular weight of 384.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate is sourced from PubChem (CID 8925530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).