4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid

C14H19N5O2 — CID 107475215

IUPAC4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid
SMILESCC(C)(C)CC(Cn1nnnc1-c1cccnc1)C(=O)O
InChIInChI=1S/C14H19N5O2/c1-14(2,3)7-11(13(20)21)9-19-12(16-17-18-19)10-5-4-6-15-8-10/h4-6,8,11H,7,9H2,1-3H3,(H,20,21)
InChIKeyGTSVBGMAXHXKEB-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.87
Rot. Bonds5

About 4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid

4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid (PubChem CID 107475215) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid
PubChem CID107475215
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid
SMILESCC(C)(C)CC(Cn1nnnc1-c1cccnc1)C(=O)O
InChIInChI=1S/C14H19N5O2/c1-14(2,3)7-11(13(20)21)9-19-12(16-17-18-19)10-5-4-6-15-8-10/h4-6,8,11H,7,9H2,1-3H3,(H,20,21)
InChIKeyGTSVBGMAXHXKEB-UHFFFAOYSA-N
XLogP1.87
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475123
4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475006
2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid
CID 107474996
4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475063
3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol
CID 84759515
3-[5-(4-chlorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047456
2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
CID 91778729
3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66045094
3-[5-(3,4-dimethylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047221
2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 80541240

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid (CID 107475215) is 4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid is CC(C)(C)CC(Cn1nnnc1-c1cccnc1)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid?
The InChIKey is GTSVBGMAXHXKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-14(2,3)7-11(13(20)21)9-19-12(16-17-18-19)10-5-4-6-15-8-10/h4-6,8,11H,7,9H2,1-3H3,(H,20,21).
What are the key properties of 4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid?
4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.87, 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-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid is sourced from PubChem (CID 107475215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).