4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid

C11H17N3O4S — CID 65204210

IUPAC4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1snnc1C(C)C)C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-6(2)8-9(19-14-13-8)10(15)12-7(11(16)17)4-5-18-3/h6-7H,4-5H2,1-3H3,(H,12,15)(H,16,17)
InChIKeySQRVEMRZKZGEGK-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.88
Rot. Bonds7

About 4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid

4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid (PubChem CID 65204210) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
PubChem CID65204210
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1snnc1C(C)C)C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-6(2)8-9(19-14-13-8)10(15)12-7(11(16)17)4-5-18-3/h6-7H,4-5H2,1-3H3,(H,12,15)(H,16,17)
InChIKeySQRVEMRZKZGEGK-UHFFFAOYSA-N
XLogP0.88
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid (CID 65204210) is 4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid is COCCC(NC(=O)c1snnc1C(C)C)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid?
The InChIKey is SQRVEMRZKZGEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-6(2)8-9(19-14-13-8)10(15)12-7(11(16)17)4-5-18-3/h6-7H,4-5H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid?
4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 65204210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).