2-(1-undecyltriazol-4-yl)acetic acid

C15H27N3O2 — CID 71723587

IUPAC2-(1-undecyltriazol-4-yl)acetic acid
SMILESCCCCCCCCCCCn1cc(CC(=O)O)nn1
InChIInChI=1S/C15H27N3O2/c1-2-3-4-5-6-7-8-9-10-11-18-13-14(16-17-18)12-15(19)20/h13H,2-12H2,1H3,(H,19,20)
InChIKeyLSYIKMXCOOTLCB-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.44
Rot. Bonds12

About 2-(1-undecyltriazol-4-yl)acetic acid

2-(1-undecyltriazol-4-yl)acetic acid (PubChem CID 71723587) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(1-undecyltriazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-undecyltriazol-4-yl)acetic acid
PubChem CID71723587
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(1-undecyltriazol-4-yl)acetic acid
SMILESCCCCCCCCCCCn1cc(CC(=O)O)nn1
InChIInChI=1S/C15H27N3O2/c1-2-3-4-5-6-7-8-9-10-11-18-13-14(16-17-18)12-15(19)20/h13H,2-12H2,1H3,(H,19,20)
InChIKeyLSYIKMXCOOTLCB-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-Decyltriazol-4-yl)propanoic acid
CID 71723588
6-(1-Heptyltriazol-4-yl)hexanoic acid
CID 71723723
11-(1-Ethyltriazol-4-yl)undecanoic acid
CID 71723725
2-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]acetic acid
CID 59680732
Ethyl 2-(1-pentyltriazol-4-yl)acetate
CID 70682319
2-(1-Pentyltriazol-4-yl)acetic acid
CID 70690726
Ethyl 2-(1-dodecyltriazol-4-yl)acetate
CID 70692870
2-(1-Dodecyltriazol-4-yl)acetic acid
CID 70694908
8-(1-Pentyltriazol-4-yl)octanoic acid
CID 71723724
Ethyl 4-(4-pentyltriazol-1-yl)butanoate
CID 129909229
Ethyl 4-(4-octyltriazol-1-yl)butanoate
CID 129909259
2-(1-ethyl-1H-1,2,3-triazol-4-yl)acetic acid hydrochloride
CID 132300818

Frequently Asked Questions

What is the IUPAC name of 2-(1-undecyltriazol-4-yl)acetic acid?
The IUPAC name of 2-(1-undecyltriazol-4-yl)acetic acid (CID 71723587) is 2-(1-undecyltriazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-undecyltriazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-undecyltriazol-4-yl)acetic acid is CCCCCCCCCCCn1cc(CC(=O)O)nn1.
What is the InChIKey of 2-(1-undecyltriazol-4-yl)acetic acid?
The InChIKey is LSYIKMXCOOTLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-3-4-5-6-7-8-9-10-11-18-13-14(16-17-18)12-15(19)20/h13H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-(1-undecyltriazol-4-yl)acetic acid?
2-(1-undecyltriazol-4-yl)acetic acid has a molecular weight of 281.40 g/mol, XLogP of 3.44, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-undecyltriazol-4-yl)acetic acid is sourced from PubChem (CID 71723587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).