2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid

C14H26N4O2 — CID 66041994

IUPAC2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid
SMILESCCCCCCCCCc1nnnn1C(C)(C)C(=O)O
InChIInChI=1S/C14H26N4O2/c1-4-5-6-7-8-9-10-11-12-15-16-17-18(12)14(2,3)13(19)20/h4-11H2,1-3H3,(H,19,20)
InChIKeyZQSJJNABLJQNMH-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.79
Rot. Bonds10

About 2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid

2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid (PubChem CID 66041994) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid
PubChem CID66041994
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid
SMILESCCCCCCCCCc1nnnn1C(C)(C)C(=O)O
InChIInChI=1S/C14H26N4O2/c1-4-5-6-7-8-9-10-11-12-15-16-17-18(12)14(2,3)13(19)20/h4-11H2,1-3H3,(H,19,20)
InChIKeyZQSJJNABLJQNMH-UHFFFAOYSA-N
XLogP2.79
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.79
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 2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid (CID 66041994) is 2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid is CCCCCCCCCc1nnnn1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid?
The InChIKey is ZQSJJNABLJQNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-5-6-7-8-9-10-11-12-15-16-17-18(12)14(2,3)13(19)20/h4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid?
2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid has a molecular weight of 282.39 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-nonyltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 66041994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).