4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid

C16H24N2O5S — CID 120533772

IUPAC4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid
SMILESCC(C)(C)OCCC(NC(=O)c1cnc(C2CCCO2)s1)C(=O)O
InChIInChI=1S/C16H24N2O5S/c1-16(2,3)23-8-6-10(15(20)21)18-13(19)12-9-17-14(24-12)11-5-4-7-22-11/h9-11H,4-8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyAEXWSRYJEICBNY-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.38
Rot. Bonds7

About 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid

4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid (PubChem CID 120533772) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid
PubChem CID120533772
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid
SMILESCC(C)(C)OCCC(NC(=O)c1cnc(C2CCCO2)s1)C(=O)O
InChIInChI=1S/C16H24N2O5S/c1-16(2,3)23-8-6-10(15(20)21)18-13(19)12-9-17-14(24-12)11-5-4-7-22-11/h9-11H,4-8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyAEXWSRYJEICBNY-UHFFFAOYSA-N
XLogP2.38
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid (CID 120533772) is 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid is CC(C)(C)OCCC(NC(=O)c1cnc(C2CCCO2)s1)C(=O)O.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid?
The InChIKey is AEXWSRYJEICBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-16(2,3)23-8-6-10(15(20)21)18-13(19)12-9-17-14(24-12)11-5-4-7-22-11/h9-11H,4-8H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid?
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid has a molecular weight of 356.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120533772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).