2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid

C13H24N4O2 — CID 79791413

IUPAC2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid
SMILESCCCCC(CC)c1nnnn1C(C)(CC)C(=O)O
InChIInChI=1S/C13H24N4O2/c1-5-8-9-10(6-2)11-14-15-16-17(11)13(4,7-3)12(18)19/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyBQOIDHZMYGIZSZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.57
Rot. Bonds8

About 2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid

2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid (PubChem CID 79791413) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid
PubChem CID79791413
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid
SMILESCCCCC(CC)c1nnnn1C(C)(CC)C(=O)O
InChIInChI=1S/C13H24N4O2/c1-5-8-9-10(6-2)11-14-15-16-17(11)13(4,7-3)12(18)19/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyBQOIDHZMYGIZSZ-UHFFFAOYSA-N
XLogP2.57
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid?
The IUPAC name of 2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid (CID 79791413) is 2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid?
The canonical SMILES for 2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid is CCCCC(CC)c1nnnn1C(C)(CC)C(=O)O.
What is the InChIKey of 2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid?
The InChIKey is BQOIDHZMYGIZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-8-9-10(6-2)11-14-15-16-17(11)13(4,7-3)12(18)19/h10H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid?
2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid is sourced from PubChem (CID 79791413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).