2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid

C14H19N5O2 — CID 115431497

IUPAC2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid
SMILESCCC(CC)(Cn1nnnc1-c1cccc(C)n1)C(=O)O
InChIInChI=1S/C14H19N5O2/c1-4-14(5-2,13(20)21)9-19-12(16-17-18-19)11-8-6-7-10(3)15-11/h6-8H,4-5,9H2,1-3H3,(H,20,21)
InChIKeyKIHHKHCYHHLRBW-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.93
Rot. Bonds6

About 2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid

2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid (PubChem CID 115431497) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid
PubChem CID115431497
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid
SMILESCCC(CC)(Cn1nnnc1-c1cccc(C)n1)C(=O)O
InChIInChI=1S/C14H19N5O2/c1-4-14(5-2,13(20)21)9-19-12(16-17-18-19)11-8-6-7-10(3)15-11/h6-8H,4-5,9H2,1-3H3,(H,20,21)
InChIKeyKIHHKHCYHHLRBW-UHFFFAOYSA-N
XLogP1.93
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-2-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]butanoic acid
CID 115431399
2-ethyl-2-[[5-(3-methylthiophen-2-yl)tetrazol-1-yl]methyl]butanoic acid
CID 115431506
2-[[5-(3-chloro-4-pyridinyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid
CID 115431440
2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid
CID 113308820
3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
CID 63555277
2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid
CID 115431475
2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid
CID 106754447
2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid
CID 115431503
3-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429183
3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62390041
2,2-dimethyl-3-[5-(1-methyltriazol-4-yl)tetrazol-1-yl]propanoic acid
CID 112735739
2-[[5-(2-bromofuran-3-yl)tetrazol-1-yl]methyl]-2-methylbutanoic acid
CID 106856435

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid (CID 115431497) is 2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid is CCC(CC)(Cn1nnnc1-c1cccc(C)n1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid?
The InChIKey is KIHHKHCYHHLRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-14(5-2,13(20)21)9-19-12(16-17-18-19)11-8-6-7-10(3)15-11/h6-8H,4-5,9H2,1-3H3,(H,20,21).
What are the key properties of 2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid?
2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid is sourced from PubChem (CID 115431497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).