4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid

C16H24N2O6S — CID 146458016

IUPAC4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)CC(C(=O)O)c1csc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H24N2O6S/c1-15(2,3)23-11(19)7-9(12(20)21)10-8-25-13(17-10)18-14(22)24-16(4,5)6/h8-9H,7H2,1-6H3,(H,20,21)(H,17,18,22)
InChIKeyLGWBWQUKDGHUEY-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.39
Rot. Bonds5

About 4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid

4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid (PubChem CID 146458016) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid
PubChem CID146458016
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)CC(C(=O)O)c1csc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H24N2O6S/c1-15(2,3)23-11(19)7-9(12(20)21)10-8-25-13(17-10)18-14(22)24-16(4,5)6/h8-9H,7H2,1-6H3,(H,20,21)(H,17,18,22)
InChIKeyLGWBWQUKDGHUEY-UHFFFAOYSA-N
XLogP3.39
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid (CID 146458016) is 4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid is CC(C)(C)OC(=O)CC(C(=O)O)c1csc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid?
The InChIKey is LGWBWQUKDGHUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-15(2,3)23-11(19)7-9(12(20)21)10-8-25-13(17-10)18-14(22)24-16(4,5)6/h8-9H,7H2,1-6H3,(H,20,21)(H,17,18,22).
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid?
4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid has a molecular weight of 372.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoic acid is sourced from PubChem (CID 146458016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).