2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid

C10H16N2O2S — CID 63021521

IUPAC2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid
SMILESCc1ncc(CN(C)C(C)(C)C(=O)O)s1
InChIInChI=1S/C10H16N2O2S/c1-7-11-5-8(15-7)6-12(4)10(2,3)9(13)14/h5H,6H2,1-4H3,(H,13,14)
InChIKeyRAKQJROUENPFID-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.75
Rot. Bonds4

About 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid

2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid (PubChem CID 63021521) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid
PubChem CID63021521
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid
SMILESCc1ncc(CN(C)C(C)(C)C(=O)O)s1
InChIInChI=1S/C10H16N2O2S/c1-7-11-5-8(15-7)6-12(4)10(2,3)9(13)14/h5H,6H2,1-4H3,(H,13,14)
InChIKeyRAKQJROUENPFID-UHFFFAOYSA-N
XLogP1.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.75
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-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid (CID 63021521) is 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid is Cc1ncc(CN(C)C(C)(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid?
The InChIKey is RAKQJROUENPFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7-11-5-8(15-7)6-12(4)10(2,3)9(13)14/h5H,6H2,1-4H3,(H,13,14).
What are the key properties of 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid?
2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid has a molecular weight of 228.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 63021521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).