2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid

C8H11N3O3 — CID 107410339

IUPAC2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)n1cn[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-8(6(12)13,5-2-3-5)11-4-9-10-7(11)14/h4-5H,2-3H2,1H3,(H,10,14)(H,12,13)
InChIKeyQXZYJFDHCZHSBV-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.22
Rot. Bonds3

About 2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid

2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid (PubChem CID 107410339) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid
PubChem CID107410339
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)n1cn[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-8(6(12)13,5-2-3-5)11-4-9-10-7(11)14/h4-5H,2-3H2,1H3,(H,10,14)(H,12,13)
InChIKeyQXZYJFDHCZHSBV-UHFFFAOYSA-N
XLogP-0.22
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
CID 107410217
3-methyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
CID 107410229
2-methyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
CID 107410263
4-methyl-4-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
CID 107410292
2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetic acid
CID 107410298
2-methyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid
CID 107410373
2-ethyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)butanoic acid
CID 107410374
1-(5-oxo-1H-1,2,4-triazol-4-yl)cyclobutane-1-carboxylic acid
CID 107410388

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid (CID 107410339) is 2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid is CC(C(=O)O)(C1CC1)n1cn[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid?
The InChIKey is QXZYJFDHCZHSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-8(6(12)13,5-2-3-5)11-4-9-10-7(11)14/h4-5H,2-3H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid?
2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(5-oxo-1H-1,2,4-triazol-4-yl)propanoic acid is sourced from PubChem (CID 107410339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).