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

C7H10N4O3 — CID 10965483

IUPAC2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid
SMILESNC(CCC(=O)n1cncn1)C(=O)O
InChIInChI=1S/C7H10N4O3/c8-5(7(13)14)1-2-6(12)11-4-9-3-10-11/h3-5H,1-2,8H2,(H,13,14)
InChIKeyPFDMTXHIABUIGY-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.89
Rot. Bonds4

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

2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid (PubChem CID 10965483) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid
PubChem CID10965483
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid
SMILESNC(CCC(=O)n1cncn1)C(=O)O
InChIInChI=1S/C7H10N4O3/c8-5(7(13)14)1-2-6(12)11-4-9-3-10-11/h3-5H,1-2,8H2,(H,13,14)
InChIKeyPFDMTXHIABUIGY-UHFFFAOYSA-N
XLogP-0.89
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid?
The IUPAC name of 2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid (CID 10965483) is 2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid is NC(CCC(=O)n1cncn1)C(=O)O.
What is the InChIKey of 2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid?
The InChIKey is PFDMTXHIABUIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c8-5(7(13)14)1-2-6(12)11-4-9-3-10-11/h3-5H,1-2,8H2,(H,13,14).
What are the key properties of 2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid?
2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-5-(1,2,4-triazol-1-yl)pentanoic acid is sourced from PubChem (CID 10965483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).