3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

C8H11N3O3S — CID 60988402

IUPAC3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C8H11N3O3S/c1-5-7(15-10-9-5)8(14)11(2)4-3-6(12)13/h3-4H2,1-2H3,(H,12,13)
InChIKeyYMQMMIVFAKRLDO-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.39
Rot. Bonds4

About 3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 60988402) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID60988402
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C8H11N3O3S/c1-5-7(15-10-9-5)8(14)11(2)4-3-6(12)13/h3-4H2,1-2H3,(H,12,13)
InChIKeyYMQMMIVFAKRLDO-UHFFFAOYSA-N
XLogP0.39
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (CID 60988402) is 3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is Cc1nnsc1C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is YMQMMIVFAKRLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-5-7(15-10-9-5)8(14)11(2)4-3-6(12)13/h3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60988402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).