4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid

C7H11N3O4 — CID 107410294

IUPAC4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid
SMILESCOCCC(C(=O)O)n1cn[nH]c1=O
InChIInChI=1S/C7H11N3O4/c1-14-3-2-5(6(11)12)10-4-8-9-7(10)13/h4-5H,2-3H2,1H3,(H,9,13)(H,11,12)
InChIKeyBAMQLKRDVBLLOZ-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.77
Rot. Bonds5

About 4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid

4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid (PubChem CID 107410294) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is 4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid
PubChem CID107410294
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid
SMILESCOCCC(C(=O)O)n1cn[nH]c1=O
InChIInChI=1S/C7H11N3O4/c1-14-3-2-5(6(11)12)10-4-8-9-7(10)13/h4-5H,2-3H2,1H3,(H,9,13)(H,11,12)
InChIKeyBAMQLKRDVBLLOZ-UHFFFAOYSA-N
XLogP-0.77
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid
CID 107410220
2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid
CID 107410257
3-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid
CID 107410385
2-(5-oxo-1H-1,2,4-triazol-4-yl)butanedioic acid
CID 107410394

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid?
The IUPAC name of 4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid (CID 107410294) is 4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid.
What is the SMILES notation for 4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid?
The canonical SMILES for 4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid is COCCC(C(=O)O)n1cn[nH]c1=O.
What is the InChIKey of 4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid?
The InChIKey is BAMQLKRDVBLLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4/c1-14-3-2-5(6(11)12)10-4-8-9-7(10)13/h4-5H,2-3H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid?
4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid has a molecular weight of 201.18 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid is sourced from PubChem (CID 107410294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).