3-methyl-2-(tetrazol-1-yl)pentanoic acid

C7H12N4O2 — CID 74662545

IUPAC3-methyl-2-(tetrazol-1-yl)pentanoic acid
SMILESCCC(C)C(C(=O)O)n1cnnn1
InChIInChI=1S/C7H12N4O2/c1-3-5(2)6(7(12)13)11-4-8-9-10-11/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyQKVFWZCIQNAKHY-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.34
Rot. Bonds4

About 3-methyl-2-(tetrazol-1-yl)pentanoic acid

3-methyl-2-(tetrazol-1-yl)pentanoic acid (PubChem CID 74662545) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-methyl-2-(tetrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-(tetrazol-1-yl)pentanoic acid
PubChem CID74662545
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-methyl-2-(tetrazol-1-yl)pentanoic acid
SMILESCCC(C)C(C(=O)O)n1cnnn1
InChIInChI=1S/C7H12N4O2/c1-3-5(2)6(7(12)13)11-4-8-9-10-11/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyQKVFWZCIQNAKHY-UHFFFAOYSA-N
XLogP0.34
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(tetrazol-1-yl)pentanoic acid?
The IUPAC name of 3-methyl-2-(tetrazol-1-yl)pentanoic acid (CID 74662545) is 3-methyl-2-(tetrazol-1-yl)pentanoic acid.
What is the SMILES notation for 3-methyl-2-(tetrazol-1-yl)pentanoic acid?
The canonical SMILES for 3-methyl-2-(tetrazol-1-yl)pentanoic acid is CCC(C)C(C(=O)O)n1cnnn1.
What is the InChIKey of 3-methyl-2-(tetrazol-1-yl)pentanoic acid?
The InChIKey is QKVFWZCIQNAKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-5(2)6(7(12)13)11-4-8-9-10-11/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-2-(tetrazol-1-yl)pentanoic acid?
3-methyl-2-(tetrazol-1-yl)pentanoic acid has a molecular weight of 184.20 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(tetrazol-1-yl)pentanoic acid is sourced from PubChem (CID 74662545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).