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

C12H18N2O4S — CID 55008456

IUPACmethyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H18N2O4S/c1-8(11(16)18-4)5-13(3)10(15)6-14-9(2)7-19-12(14)17/h7-8H,5-6H2,1-4H3
InChIKeyRTJHTLLGKSPLEC-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.49
Rot. Bonds5

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

methyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate (PubChem CID 55008456) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
PubChem CID55008456
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H18N2O4S/c1-8(11(16)18-4)5-13(3)10(15)6-14-9(2)7-19-12(14)17/h7-8H,5-6H2,1-4H3
InChIKeyRTJHTLLGKSPLEC-UHFFFAOYSA-N
XLogP0.49
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate (CID 55008456) is methyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate is COC(=O)C(C)CN(C)C(=O)Cn1c(C)csc1=O.
What is the InChIKey of methyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The InChIKey is RTJHTLLGKSPLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(11(16)18-4)5-13(3)10(15)6-14-9(2)7-19-12(14)17/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate has a molecular weight of 286.35 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 55008456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).