[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate

C13H17N3O5 — CID 8986851

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate
SMILESCC(C)NC(=O)NC(=O)COC(=O)Cn1ccccc1=O
InChIInChI=1S/C13H17N3O5/c1-9(2)14-13(20)15-10(17)8-21-12(19)7-16-6-4-3-5-11(16)18/h3-6,9H,7-8H2,1-2H3,(H2,14,15,17,20)
InChIKeyQCYOXBKUIRJWRK-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.37
Rot. Bonds5

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate (PubChem CID 8986851) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate
PubChem CID8986851
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate
SMILESCC(C)NC(=O)NC(=O)COC(=O)Cn1ccccc1=O
InChIInChI=1S/C13H17N3O5/c1-9(2)14-13(20)15-10(17)8-21-12(19)7-16-6-4-3-5-11(16)18/h3-6,9H,7-8H2,1-2H3,(H2,14,15,17,20)
InChIKeyQCYOXBKUIRJWRK-UHFFFAOYSA-N
XLogP-0.37
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136931
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
CID 8589186
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8987404
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
CID 4876008
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate
CID 7758905
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7858778
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8986919
ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 8986965
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-phenoxypropanoate
CID 8790635
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8986833
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825634
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7352783

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate (CID 8986851) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate is CC(C)NC(=O)NC(=O)COC(=O)Cn1ccccc1=O.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate?
The InChIKey is QCYOXBKUIRJWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-9(2)14-13(20)15-10(17)8-21-12(19)7-16-6-4-3-5-11(16)18/h3-6,9H,7-8H2,1-2H3,(H2,14,15,17,20).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate has a molecular weight of 295.30 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 8986851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).