2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid

C9H12N2O3S — CID 65199404

IUPAC2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESCc1nc(C(=O)N(C)C(C)C(=O)O)cs1
InChIInChI=1S/C9H12N2O3S/c1-5(9(13)14)11(3)8(12)7-4-15-6(2)10-7/h4-5H,1-3H3,(H,13,14)
InChIKeyGDDRJGYEFMBRJN-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.00
Rot. Bonds3

About 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid

2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid (PubChem CID 65199404) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
PubChem CID65199404
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESCc1nc(C(=O)N(C)C(C)C(=O)O)cs1
InChIInChI=1S/C9H12N2O3S/c1-5(9(13)14)11(3)8(12)7-4-15-6(2)10-7/h4-5H,1-3H3,(H,13,14)
InChIKeyGDDRJGYEFMBRJN-UHFFFAOYSA-N
XLogP1.00
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.00
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-thiazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid (CID 65199404) is 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid is Cc1nc(C(=O)N(C)C(C)C(=O)O)cs1.
What is the InChIKey of 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The InChIKey is GDDRJGYEFMBRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-5(9(13)14)11(3)8(12)7-4-15-6(2)10-7/h4-5H,1-3H3,(H,13,14).
What are the key properties of 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid has a molecular weight of 228.27 g/mol, XLogP of 1.00, 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-thiazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 65199404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).