5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid

C11H19N3O3 — CID 104538690

IUPAC5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid
SMILESCCOCCn1cc(CCCCC(=O)O)nn1
InChIInChI=1S/C11H19N3O3/c1-2-17-8-7-14-9-10(12-13-14)5-3-4-6-11(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyUIBZMUMRCOEMNE-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.11
Rot. Bonds9

About 5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid

5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid (PubChem CID 104538690) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid.

Molecular Properties

Compound Name5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid
PubChem CID104538690
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid
SMILESCCOCCn1cc(CCCCC(=O)O)nn1
InChIInChI=1S/C11H19N3O3/c1-2-17-8-7-14-9-10(12-13-14)5-3-4-6-11(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyUIBZMUMRCOEMNE-UHFFFAOYSA-N
XLogP1.11
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]pentanoic acid
CID 104538699
5-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]pentanoic acid
CID 104538693
3-[1-(2-propoxyethyl)triazol-4-yl]propanoic acid
CID 107461014
1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole
CID 167478835
5-[1-[4-(dimethylamino)-4-oxobutyl]triazol-4-yl]pentanoic acid
CID 104538857
5-[1-(3-methylbutyl)triazol-4-yl]pentanoic acid
CID 104538635
5-[1-(4,4-dimethylpentyl)triazol-4-yl]pentanoic acid
CID 114210114
5-[1-(2-hydroxybutyl)triazol-4-yl]pentanoic acid
CID 104538828
5-[1-(3-phenylpropyl)triazol-4-yl]pentanoic acid
CID 104538750
5-[1-[(4-ethylphenyl)methyl]triazol-4-yl]pentanoic acid
CID 104538791
2-amino-3-[1-(2-ethoxyethyl)triazol-4-yl]propanoic acid
CID 116735117
3-(1-nonyltriazol-4-yl)propanoic acid
CID 107460574

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid?
The IUPAC name of 5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid (CID 104538690) is 5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid.
What is the SMILES notation for 5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid?
The canonical SMILES for 5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid is CCOCCn1cc(CCCCC(=O)O)nn1.
What is the InChIKey of 5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid?
The InChIKey is UIBZMUMRCOEMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-17-8-7-14-9-10(12-13-14)5-3-4-6-11(15)16/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid?
5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid has a molecular weight of 241.29 g/mol, XLogP of 1.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid is sourced from PubChem (CID 104538690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).