3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid

C8H14N4O3 — CID 103263516

IUPAC3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid
SMILESO=C(O)CC(O)CNCCn1ccnn1
InChIInChI=1S/C8H14N4O3/c13-7(5-8(14)15)6-9-1-3-12-4-2-10-11-12/h2,4,7,9,13H,1,3,5-6H2,(H,14,15)
InChIKeyQSHVVGXUZJOZRK-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.30
Rot. Bonds7

About 3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid

3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid (PubChem CID 103263516) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid
PubChem CID103263516
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid
SMILESO=C(O)CC(O)CNCCn1ccnn1
InChIInChI=1S/C8H14N4O3/c13-7(5-8(14)15)6-9-1-3-12-4-2-10-11-12/h2,4,7,9,13H,1,3,5-6H2,(H,14,15)
InChIKeyQSHVVGXUZJOZRK-UHFFFAOYSA-N
XLogP-1.30
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide
CID 103263505
1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol
CID 103158278
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503
(2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid
CID 107828886
17-(triazol-1-yl)heptadecanoic acid
CID 69480410
(2S)-4-methyl-2-[2-(triazol-1-yl)ethylcarbamoylamino]pentanoic acid
CID 113413075
2-phenyl-3-[2-(triazol-1-yl)ethylamino]propanenitrile
CID 113412677
N-(3-methylbutan-2-yl)-2-[3-(triazol-1-yl)propylamino]acetamide
CID 113412705
N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
CID 104593436
2-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 43211063
2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
CID 75453912
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid?
The IUPAC name of 3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid (CID 103263516) is 3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid is O=C(O)CC(O)CNCCn1ccnn1.
What is the InChIKey of 3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid?
The InChIKey is QSHVVGXUZJOZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c13-7(5-8(14)15)6-9-1-3-12-4-2-10-11-12/h2,4,7,9,13H,1,3,5-6H2,(H,14,15).
What are the key properties of 3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid?
3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid has a molecular weight of 214.22 g/mol, XLogP of -1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid is sourced from PubChem (CID 103263516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).