2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid

C13H17N5O2 — CID 106754447

IUPAC2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid
SMILESCCC(C)(Cn1nnnc1-c1ccnc(C)c1)C(=O)O
InChIInChI=1S/C13H17N5O2/c1-4-13(3,12(19)20)8-18-11(15-16-17-18)10-5-6-14-9(2)7-10/h5-7H,4,8H2,1-3H3,(H,19,20)
InChIKeyZTZRPDWKHNMNJR-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.54
Rot. Bonds5

About 2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid

2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid (PubChem CID 106754447) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid
PubChem CID106754447
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid
SMILESCCC(C)(Cn1nnnc1-c1ccnc(C)c1)C(=O)O
InChIInChI=1S/C13H17N5O2/c1-4-13(3,12(19)20)8-18-11(15-16-17-18)10-5-6-14-9(2)7-10/h5-7H,4,8H2,1-3H3,(H,19,20)
InChIKeyZTZRPDWKHNMNJR-UHFFFAOYSA-N
XLogP1.54
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-bromofuran-3-yl)tetrazol-1-yl]methyl]-2-methylbutanoic acid
CID 106856435
3-[5-(3,4-dimethylphenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429233
3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid
CID 106754449
3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 113308371
3-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429183
2-ethyl-2-[[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]methyl]butanoic acid
CID 115431497
3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid
CID 136886171
3-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429274
3-[5-(2,4-difluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429102
3-[5-(2,4-dibromophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 107942147
2-[[4-amino-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 106753244
2-ethyl-2-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]butanoic acid
CID 115431399

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid (CID 106754447) is 2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid is CCC(C)(Cn1nnnc1-c1ccnc(C)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid?
The InChIKey is ZTZRPDWKHNMNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-4-13(3,12(19)20)8-18-11(15-16-17-18)10-5-6-14-9(2)7-10/h5-7H,4,8H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid?
2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid is sourced from PubChem (CID 106754447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).