4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid

C14H24N4O3 — CID 107475072

IUPAC4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCC(C)(C)CC(Cn1nnnc1C1CCCCO1)C(=O)O
InChIInChI=1S/C14H24N4O3/c1-14(2,3)8-10(13(19)20)9-18-12(15-16-17-18)11-6-4-5-7-21-11/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeyUUTZDAUIIICTGB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.05
Rot. Bonds5

About 4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid

4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 107475072) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid
PubChem CID107475072
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCC(C)(C)CC(Cn1nnnc1C1CCCCO1)C(=O)O
InChIInChI=1S/C14H24N4O3/c1-14(2,3)8-10(13(19)20)9-18-12(15-16-17-18)11-6-4-5-7-21-11/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeyUUTZDAUIIICTGB-UHFFFAOYSA-N
XLogP2.05
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid (CID 107475072) is 4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid is CC(C)(C)CC(Cn1nnnc1C1CCCCO1)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is UUTZDAUIIICTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2,3)8-10(13(19)20)9-18-12(15-16-17-18)11-6-4-5-7-21-11/h10-11H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid?
4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 107475072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).