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

C13H21N3O3 — CID 113424609

IUPAC5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid
SMILESO=C(O)CCCCc1cn(CCC2CCCO2)nn1
InChIInChI=1S/C13H21N3O3/c17-13(18)6-2-1-4-11-10-16(15-14-11)8-7-12-5-3-9-19-12/h10,12H,1-9H2,(H,17,18)
InChIKeyLTIOFEQCFFBJKI-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.64
Rot. Bonds8

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

5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid (PubChem CID 113424609) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid.

Molecular Properties

Compound Name5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid
PubChem CID113424609
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid
SMILESO=C(O)CCCCc1cn(CCC2CCCO2)nn1
InChIInChI=1S/C13H21N3O3/c17-13(18)6-2-1-4-11-10-16(15-14-11)8-7-12-5-3-9-19-12/h10,12H,1-9H2,(H,17,18)
InChIKeyLTIOFEQCFFBJKI-UHFFFAOYSA-N
XLogP1.64
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.64
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

3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
CID 65166429
2-[1-[3-(oxolan-2-yl)propyl]triazol-4-yl]ethanol
CID 65166430
3-[1-(2-cyclopropylethyl)triazol-4-yl]propanoic acid
CID 107460777
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
5-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]pentanoic acid
CID 104538693
5-[1-(3-methylbutyl)triazol-4-yl]pentanoic acid
CID 104538635
5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]pentanoic acid
CID 104538699
7-(oxolan-2-yl)heptanoic acid
CID 174977398
5-[1-(4,4-dimethylpentyl)triazol-4-yl]pentanoic acid
CID 114210114
5-[1-(3-phenylpropyl)triazol-4-yl]pentanoic acid
CID 104538750
5-[1-[4-(dimethylamino)-4-oxobutyl]triazol-4-yl]pentanoic acid
CID 104538857

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid?
The IUPAC name of 5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid (CID 113424609) is 5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid.
What is the SMILES notation for 5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid?
The canonical SMILES for 5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid is O=C(O)CCCCc1cn(CCC2CCCO2)nn1.
What is the InChIKey of 5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid?
The InChIKey is LTIOFEQCFFBJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c17-13(18)6-2-1-4-11-10-16(15-14-11)8-7-12-5-3-9-19-12/h10,12H,1-9H2,(H,17,18).
What are the key properties of 5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid?
5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid is sourced from PubChem (CID 113424609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).