5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid

C8H11N5O4 — CID 63283012

IUPAC5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid
SMILESNC(=O)CCC(NC(=O)c1cn[nH]n1)C(=O)O
InChIInChI=1S/C8H11N5O4/c9-6(14)2-1-4(8(16)17)11-7(15)5-3-10-13-12-5/h3-4H,1-2H2,(H2,9,14)(H,11,15)(H,16,17)(H,10,12,13)
InChIKeyXJYQLXKWLIFJNP-UHFFFAOYSA-N
MW241.21 g/mol
LogP-1.75
Rot. Bonds6

About 5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid

5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid (PubChem CID 63283012) has the molecular formula C8H11N5O4 and a molecular weight of 241.21 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid
PubChem CID63283012
Molecular FormulaC8H11N5O4
Molecular Weight241.21 g/mol
Exact Mass241.08
IUPAC Name5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid
SMILESNC(=O)CCC(NC(=O)c1cn[nH]n1)C(=O)O
InChIInChI=1S/C8H11N5O4/c9-6(14)2-1-4(8(16)17)11-7(15)5-3-10-13-12-5/h3-4H,1-2H2,(H2,9,14)(H,11,15)(H,16,17)(H,10,12,13)
InChIKeyXJYQLXKWLIFJNP-UHFFFAOYSA-N
XLogP-1.75
TPSA151.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2H-triazole-4-carbonylamino)hexanoic acid
CID 63283324
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107830095
(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 62959310
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 107829870
(2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid
CID 114037303
(2R)-3-(1H-imidazol-5-yl)-2-(2H-triazole-4-carbonylamino)propanoic acid
CID 104894234
3-cyclohexyl-2-(2H-triazole-4-carbonylamino)propanoic acid
CID 114264473
N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide
CID 112732798
(2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107830203
(2S)-5-amino-2-(1H-indazole-7-carbonylamino)-5-oxopentanoic acid
CID 167788429
(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 103510485
(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28742679

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid (CID 63283012) is 5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid is NC(=O)CCC(NC(=O)c1cn[nH]n1)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid?
The InChIKey is XJYQLXKWLIFJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O4/c9-6(14)2-1-4(8(16)17)11-7(15)5-3-10-13-12-5/h3-4H,1-2H2,(H2,9,14)(H,11,15)(H,16,17)(H,10,12,13).
What are the key properties of 5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid?
5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid has a molecular weight of 241.21 g/mol, XLogP of -1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 63283012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).