2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid

C11H18N2O2S — CID 65264056

IUPAC2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid
SMILESCC(C)c1nc(CNC(C)(C)C(=O)O)cs1
InChIInChI=1S/C11H18N2O2S/c1-7(2)9-13-8(6-16-9)5-12-11(3,4)10(14)15/h6-7,12H,5H2,1-4H3,(H,14,15)
InChIKeyACSHJTZIVHEQMY-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.22
Rot. Bonds5

About 2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid

2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid (PubChem CID 65264056) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid
PubChem CID65264056
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid
SMILESCC(C)c1nc(CNC(C)(C)C(=O)O)cs1
InChIInChI=1S/C11H18N2O2S/c1-7(2)9-13-8(6-16-9)5-12-11(3,4)10(14)15/h6-7,12H,5H2,1-4H3,(H,14,15)
InChIKeyACSHJTZIVHEQMY-UHFFFAOYSA-N
XLogP2.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid (CID 65264056) is 2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid is CC(C)c1nc(CNC(C)(C)C(=O)O)cs1.
What is the InChIKey of 2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid?
The InChIKey is ACSHJTZIVHEQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)9-13-8(6-16-9)5-12-11(3,4)10(14)15/h6-7,12H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid?
2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid has a molecular weight of 242.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid is sourced from PubChem (CID 65264056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).