3-(5-nonyltetrazol-1-yl)butanoic acid

C14H26N4O2 — CID 66043035

IUPAC3-(5-nonyltetrazol-1-yl)butanoic acid
SMILESCCCCCCCCCc1nnnn1C(C)CC(=O)O
InChIInChI=1S/C14H26N4O2/c1-3-4-5-6-7-8-9-10-13-15-16-17-18(13)12(2)11-14(19)20/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyHBOHQXLIEIPTIE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.00
Rot. Bonds11

About 3-(5-nonyltetrazol-1-yl)butanoic acid

3-(5-nonyltetrazol-1-yl)butanoic acid (PubChem CID 66043035) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(5-nonyltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-nonyltetrazol-1-yl)butanoic acid
PubChem CID66043035
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-(5-nonyltetrazol-1-yl)butanoic acid
SMILESCCCCCCCCCc1nnnn1C(C)CC(=O)O
InChIInChI=1S/C14H26N4O2/c1-3-4-5-6-7-8-9-10-13-15-16-17-18(13)12(2)11-14(19)20/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyHBOHQXLIEIPTIE-UHFFFAOYSA-N
XLogP3.00
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.00
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-(5-hexyltetrazol-1-yl)-2-methylbutanoic acid
CID 114754261
3-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]butanoic acid
CID 66041427
3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 66043635
3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid
CID 103167363
3-[5-[2-(3-methylphenyl)ethyl]tetrazol-1-yl]butanoic acid
CID 66043236
2-[(5-hexyltetrazol-1-yl)methyl]-4-methylpentanoic acid
CID 114754247
3-(1-octadecyltetrazol-5-yl)propanoic acid
CID 162532467
2-(1-nonyltetrazol-5-yl)acetic acid
CID 162532459
3-[(1-butyltetrazol-5-yl)methylsulfanyl]butanoic acid
CID 66137611
N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine
CID 62761889
2-(2-heptadecylimidazol-1-yl)butanedioic acid
CID 71319367
3-[5-(3,5-dimethylphenyl)tetrazol-1-yl]butanoic acid
CID 66041030

Frequently Asked Questions

What is the IUPAC name of 3-(5-nonyltetrazol-1-yl)butanoic acid?
The IUPAC name of 3-(5-nonyltetrazol-1-yl)butanoic acid (CID 66043035) is 3-(5-nonyltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 3-(5-nonyltetrazol-1-yl)butanoic acid?
The canonical SMILES for 3-(5-nonyltetrazol-1-yl)butanoic acid is CCCCCCCCCc1nnnn1C(C)CC(=O)O.
What is the InChIKey of 3-(5-nonyltetrazol-1-yl)butanoic acid?
The InChIKey is HBOHQXLIEIPTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-4-5-6-7-8-9-10-13-15-16-17-18(13)12(2)11-14(19)20/h12H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(5-nonyltetrazol-1-yl)butanoic acid?
3-(5-nonyltetrazol-1-yl)butanoic acid has a molecular weight of 282.39 g/mol, XLogP of 3.00, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nonyltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 66043035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).