3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid

C10H15N3O3S — CID 54926883

IUPAC3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCc1nnsc1C(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C10H15N3O3S/c1-6(2)13(5-4-8(14)15)10(16)9-7(3)11-12-17-9/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyZKHKUEZUFJWDCY-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.17
Rot. Bonds5

About 3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid

3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 54926883) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid
PubChem CID54926883
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCc1nnsc1C(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C10H15N3O3S/c1-6(2)13(5-4-8(14)15)10(16)9-7(3)11-12-17-9/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyZKHKUEZUFJWDCY-UHFFFAOYSA-N
XLogP1.17
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid (CID 54926883) is 3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid is Cc1nnsc1C(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid?
The InChIKey is ZKHKUEZUFJWDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6(2)13(5-4-8(14)15)10(16)9-7(3)11-12-17-9/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid?
3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylthiadiazole-5-carbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 54926883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).