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

C11H16N2O4S — CID 54980026

IUPACmethyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C11H16N2O4S/c1-8-7-18-11(16)13(8)6-9(14)12(2)5-4-10(15)17-3/h7H,4-6H2,1-3H3
InChIKeyALHDFRXZCPLFMH-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.24
Rot. Bonds5

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

methyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate (PubChem CID 54980026) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
PubChem CID54980026
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C11H16N2O4S/c1-8-7-18-11(16)13(8)6-9(14)12(2)5-4-10(15)17-3/h7H,4-6H2,1-3H3
InChIKeyALHDFRXZCPLFMH-UHFFFAOYSA-N
XLogP0.24
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate (CID 54980026) is methyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate is COC(=O)CCN(C)C(=O)Cn1c(C)csc1=O.
What is the InChIKey of methyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The InChIKey is ALHDFRXZCPLFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-7-18-11(16)13(8)6-9(14)12(2)5-4-10(15)17-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
methyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate has a molecular weight of 272.33 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 54980026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).