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

C11H16N2O4S — CID 81367167

IUPAC2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1csc(=O)n1CC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-7-5-18-10(17)13(7)4-8(14)12-6-11(2,3)9(15)16/h5H,4,6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyTVXSYLQOMMTVBD-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.45
Rot. Bonds5

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

2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 81367167) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
PubChem CID81367167
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1csc(=O)n1CC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-7-5-18-10(17)13(7)4-8(14)12-6-11(2,3)9(15)16/h5H,4,6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyTVXSYLQOMMTVBD-UHFFFAOYSA-N
XLogP0.45
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid (CID 81367167) is 2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid is Cc1csc(=O)n1CC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is TVXSYLQOMMTVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7-5-18-10(17)13(7)4-8(14)12-6-11(2,3)9(15)16/h5H,4,6H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 81367167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).