2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid

C11H16N2O4S — CID 113369939

IUPAC2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCOC(=O)C(C)Nc1nc(C(C)(C)C(=O)O)cs1
InChIInChI=1S/C11H16N2O4S/c1-6(8(14)17-4)12-10-13-7(5-18-10)11(2,3)9(15)16/h5-6H,1-4H3,(H,12,13)(H,15,16)
InChIKeyFYPQXOLUMLCNGJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.48
Rot. Bonds5

About 2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid

2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid (PubChem CID 113369939) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid
PubChem CID113369939
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCOC(=O)C(C)Nc1nc(C(C)(C)C(=O)O)cs1
InChIInChI=1S/C11H16N2O4S/c1-6(8(14)17-4)12-10-13-7(5-18-10)11(2,3)9(15)16/h5-6H,1-4H3,(H,12,13)(H,15,16)
InChIKeyFYPQXOLUMLCNGJ-UHFFFAOYSA-N
XLogP1.48
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid (CID 113369939) is 2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid is COC(=O)C(C)Nc1nc(C(C)(C)C(=O)O)cs1.
What is the InChIKey of 2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The InChIKey is FYPQXOLUMLCNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-6(8(14)17-4)12-10-13-7(5-18-10)11(2,3)9(15)16/h5-6H,1-4H3,(H,12,13)(H,15,16).
What are the key properties of 2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid?
2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid has a molecular weight of 272.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 113369939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).