[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C13H19N3O5S — CID 30261130

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C13H19N3O5S/c1-8(2)14-12(19)15-10(17)6-21-11(18)4-5-16-9(3)7-22-13(16)20/h7-8H,4-6H2,1-3H3,(H2,14,15,17,19)
InChIKeySDPJGOMCTUIYOB-UHFFFAOYSA-N
MW329.38 g/mol
LogP0.39
Rot. Bonds6

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 30261130) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID30261130
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C13H19N3O5S/c1-8(2)14-12(19)15-10(17)6-21-11(18)4-5-16-9(3)7-22-13(16)20/h7-8H,4-6H2,1-3H3,(H2,14,15,17,19)
InChIKeySDPJGOMCTUIYOB-UHFFFAOYSA-N
XLogP0.39
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 30261130) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)OCC(=O)NC(=O)NC(C)C.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is SDPJGOMCTUIYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S/c1-8(2)14-12(19)15-10(17)6-21-11(18)4-5-16-9(3)7-22-13(16)20/h7-8H,4-6H2,1-3H3,(H2,14,15,17,19).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 329.38 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 30261130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).