2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid

C7H10N4O4 — CID 107831797

IUPAC2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1ncn[nH]1
InChIInChI=1S/C7H10N4O4/c12-4(7(14)15)1-2-8-6(13)5-9-3-10-11-5/h3-4,12H,1-2H2,(H,8,13)(H,14,15)(H,9,10,11)
InChIKeyBPOPCWPHMOJCRQ-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.63
Rot. Bonds5

About 2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid

2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid (PubChem CID 107831797) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
PubChem CID107831797
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1ncn[nH]1
InChIInChI=1S/C7H10N4O4/c12-4(7(14)15)1-2-8-6(13)5-9-3-10-11-5/h3-4,12H,1-2H2,(H,8,13)(H,14,15)(H,9,10,11)
InChIKeyBPOPCWPHMOJCRQ-UHFFFAOYSA-N
XLogP-1.63
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 106283197
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
N-(3,3-dimethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749109
N-[(E)-pent-3-enyl]-1H-1,2,4-triazole-5-carboxamide
CID 115749138
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 107832681
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103822634
2-[[2-(1H-1,2,4-triazole-5-carbonylamino)acetyl]amino]acetic acid
CID 63653985
2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 63654157
3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
CID 63648096
N-(4-methylsulfanylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749145

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid (CID 107831797) is 2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid is O=C(NCCC(O)C(=O)O)c1ncn[nH]1.
What is the InChIKey of 2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid?
The InChIKey is BPOPCWPHMOJCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c12-4(7(14)15)1-2-8-6(13)5-9-3-10-11-5/h3-4,12H,1-2H2,(H,8,13)(H,14,15)(H,9,10,11).
What are the key properties of 2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid?
2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid has a molecular weight of 214.18 g/mol, XLogP of -1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid is sourced from PubChem (CID 107831797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).