2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid

C8H12N2O2S — CID 62818927

IUPAC2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
SMILESCN(c1nccs1)C(C)(C)C(=O)O
InChIInChI=1S/C8H12N2O2S/c1-8(2,6(11)12)10(3)7-9-4-5-13-7/h4-5H,1-3H3,(H,11,12)
InChIKeyXEQZFHDIYBVUPJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.44
Rot. Bonds3

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

2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid (PubChem CID 62818927) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
PubChem CID62818927
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
SMILESCN(c1nccs1)C(C)(C)C(=O)O
InChIInChI=1S/C8H12N2O2S/c1-8(2,6(11)12)10(3)7-9-4-5-13-7/h4-5H,1-3H3,(H,11,12)
InChIKeyXEQZFHDIYBVUPJ-UHFFFAOYSA-N
XLogP1.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid (CID 62818927) is 2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid is CN(c1nccs1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid?
The InChIKey is XEQZFHDIYBVUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(2,6(11)12)10(3)7-9-4-5-13-7/h4-5H,1-3H3,(H,11,12).
What are the key properties of 2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid?
2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid has a molecular weight of 200.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid is sourced from PubChem (CID 62818927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).