methyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate

C12H18N2O4S — CID 43074360

IUPACmethyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C12H18N2O4S/c1-8-7-19-11(17)14(8)6-5-9(15)13-12(2,3)10(16)18-4/h7H,5-6H2,1-4H3,(H,13,15)
InChIKeySXUFMPDMKAFQCL-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.68
Rot. Bonds5

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

methyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate (PubChem CID 43074360) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate
PubChem CID43074360
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C12H18N2O4S/c1-8-7-19-11(17)14(8)6-5-9(15)13-12(2,3)10(16)18-4/h7H,5-6H2,1-4H3,(H,13,15)
InChIKeySXUFMPDMKAFQCL-UHFFFAOYSA-N
XLogP0.68
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate (CID 43074360) is methyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate is COC(=O)C(C)(C)NC(=O)CCn1c(C)csc1=O.
What is the InChIKey of methyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate?
The InChIKey is SXUFMPDMKAFQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8-7-19-11(17)14(8)6-5-9(15)13-12(2,3)10(16)18-4/h7H,5-6H2,1-4H3,(H,13,15).
What are the key properties of methyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate?
methyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate has a molecular weight of 286.35 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate is sourced from PubChem (CID 43074360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).