3-(1-pentyltetrazol-5-yl)propanoic acid

C9H16N4O2 — CID 175202116

IUPAC3-(1-pentyltetrazol-5-yl)propanoic acid
SMILESCCCCCn1nnnc1CCC(=O)O
InChIInChI=1S/C9H16N4O2/c1-2-3-4-7-13-8(10-11-12-13)5-6-9(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyDGELYSRVZKDJGD-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.88
Rot. Bonds7

About 3-(1-pentyltetrazol-5-yl)propanoic acid

3-(1-pentyltetrazol-5-yl)propanoic acid (PubChem CID 175202116) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(1-pentyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-pentyltetrazol-5-yl)propanoic acid
PubChem CID175202116
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-(1-pentyltetrazol-5-yl)propanoic acid
SMILESCCCCCn1nnnc1CCC(=O)O
InChIInChI=1S/C9H16N4O2/c1-2-3-4-7-13-8(10-11-12-13)5-6-9(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyDGELYSRVZKDJGD-UHFFFAOYSA-N
XLogP0.88
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.88
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-pentyltetrazol-5-yl)propanoic acid?
The IUPAC name of 3-(1-pentyltetrazol-5-yl)propanoic acid (CID 175202116) is 3-(1-pentyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(1-pentyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 3-(1-pentyltetrazol-5-yl)propanoic acid is CCCCCn1nnnc1CCC(=O)O.
What is the InChIKey of 3-(1-pentyltetrazol-5-yl)propanoic acid?
The InChIKey is DGELYSRVZKDJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-3-4-7-13-8(10-11-12-13)5-6-9(14)15/h2-7H2,1H3,(H,14,15).
What are the key properties of 3-(1-pentyltetrazol-5-yl)propanoic acid?
3-(1-pentyltetrazol-5-yl)propanoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pentyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 175202116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).