2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid

C13H24N4O2 — CID 107474996

IUPAC2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(Cn1nnnc1C(C)(C)C)C(=O)O
InChIInChI=1S/C13H24N4O2/c1-12(2,3)7-9(10(18)19)8-17-11(13(4,5)6)14-15-16-17/h9H,7-8H2,1-6H3,(H,18,19)
InChIKeyQUUCNRAUMIIFGT-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.11
Rot. Bonds4

About 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid

2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid (PubChem CID 107474996) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid
PubChem CID107474996
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(Cn1nnnc1C(C)(C)C)C(=O)O
InChIInChI=1S/C13H24N4O2/c1-12(2,3)7-9(10(18)19)8-17-11(13(4,5)6)14-15-16-17/h9H,7-8H2,1-6H3,(H,18,19)
InChIKeyQUUCNRAUMIIFGT-UHFFFAOYSA-N
XLogP2.11
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475006
4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475114
4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475215
4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid
CID 80541585
2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 103028689
4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475063
4,4-dimethyl-2-[[5-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475123
2-[[5-(furan-3-yl)tetrazol-1-yl]methyl]-4,4-dimethylpentanoic acid
CID 107475162
4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475047
4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid
CID 107474963
3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 103028686
4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475072

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid (CID 107474996) is 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(Cn1nnnc1C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid?
The InChIKey is QUUCNRAUMIIFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-12(2,3)7-9(10(18)19)8-17-11(13(4,5)6)14-15-16-17/h9H,7-8H2,1-6H3,(H,18,19).
What are the key properties of 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid?
2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107474996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).