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

C9H14N2O2S — CID 61282779

IUPAC2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
SMILESCc1ncc(CNCC(C)C(=O)O)s1
InChIInChI=1S/C9H14N2O2S/c1-6(9(12)13)3-10-4-8-5-11-7(2)14-8/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyVZMUHEYHLVOMMI-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.26
Rot. Bonds5

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

2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid (PubChem CID 61282779) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
PubChem CID61282779
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
SMILESCc1ncc(CNCC(C)C(=O)O)s1
InChIInChI=1S/C9H14N2O2S/c1-6(9(12)13)3-10-4-8-5-11-7(2)14-8/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyVZMUHEYHLVOMMI-UHFFFAOYSA-N
XLogP1.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid (CID 61282779) is 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid is Cc1ncc(CNCC(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid?
The InChIKey is VZMUHEYHLVOMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(9(12)13)3-10-4-8-5-11-7(2)14-8/h5-6,10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid?
2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid has a molecular weight of 214.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid is sourced from PubChem (CID 61282779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).