5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid

C7H10N4O4 — CID 107410243

IUPAC5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
SMILESNC(=O)CCC(C(=O)O)n1cn[nH]c1=O
InChIInChI=1S/C7H10N4O4/c8-5(12)2-1-4(6(13)14)11-3-9-10-7(11)15/h3-4H,1-2H2,(H2,8,12)(H,10,15)(H,13,14)
InChIKeyGFWYXCUSYXOEPM-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.54
Rot. Bonds5

About 5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid

5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid (PubChem CID 107410243) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
PubChem CID107410243
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
SMILESNC(=O)CCC(C(=O)O)n1cn[nH]c1=O
InChIInChI=1S/C7H10N4O4/c8-5(12)2-1-4(6(13)14)11-3-9-10-7(11)15/h3-4H,1-2H2,(H2,8,12)(H,10,15)(H,13,14)
InChIKeyGFWYXCUSYXOEPM-UHFFFAOYSA-N
XLogP-1.54
TPSA131.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid
CID 107410261
2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanedioic acid
CID 107410269

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid (CID 107410243) is 5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid is NC(=O)CCC(C(=O)O)n1cn[nH]c1=O.
What is the InChIKey of 5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid?
The InChIKey is GFWYXCUSYXOEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c8-5(12)2-1-4(6(13)14)11-3-9-10-7(11)15/h3-4H,1-2H2,(H2,8,12)(H,10,15)(H,13,14).
What are the key properties of 5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid?
5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid has a molecular weight of 214.18 g/mol, XLogP of -1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(5-oxo-1H-1,2,4-triazol-4-yl)pentanoic acid is sourced from PubChem (CID 107410243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).