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

C14H19N5O2 — CID 107475047

IUPAC4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid
SMILESCC(C)(C)CC(Cn1nnnc1-c1ccccn1)C(=O)O
InChIInChI=1S/C14H19N5O2/c1-14(2,3)8-10(13(20)21)9-19-12(16-17-18-19)11-6-4-5-7-15-11/h4-7,10H,8-9H2,1-3H3,(H,20,21)
InChIKeyNIHNPOROIOKSOI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.87
Rot. Bonds5

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

4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid (PubChem CID 107475047) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid
PubChem CID107475047
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid
SMILESCC(C)(C)CC(Cn1nnnc1-c1ccccn1)C(=O)O
InChIInChI=1S/C14H19N5O2/c1-14(2,3)8-10(13(20)21)9-19-12(16-17-18-19)11-6-4-5-7-15-11/h4-7,10H,8-9H2,1-3H3,(H,20,21)
InChIKeyNIHNPOROIOKSOI-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

4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475215
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-(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
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
2-(1-benzyltetrazol-5-yl)pyridine
CID 86063303
2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 104643311
(2R)-1-(2-methylphenoxy)-3-(5-pyridin-2-yltetrazol-1-yl)propan-2-ol
CID 95776103
4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid
CID 107474963
2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione
CID 53483400

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid (CID 107475047) is 4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid is CC(C)(C)CC(Cn1nnnc1-c1ccccn1)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid?
The InChIKey is NIHNPOROIOKSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-14(2,3)8-10(13(20)21)9-19-12(16-17-18-19)11-6-4-5-7-15-11/h4-7,10H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid?
4,4-dimethyl-2-[(5-pyridin-2-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-2-yltetrazol-1-yl)methyl]pentanoic acid is sourced from PubChem (CID 107475047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).