3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid

C14H18N4O2 — CID 14888730

IUPAC3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid
SMILESCC(C)(C)n1nnc(-c2ccc(CCC(=O)O)cc2)n1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)18-16-13(15-17-18)11-7-4-10(5-8-11)6-9-12(19)20/h4-5,7-8H,6,9H2,1-3H3,(H,19,20)
InChIKeyBZAXSXFDXWOUKH-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.11
Rot. Bonds4

About 3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid

3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid (PubChem CID 14888730) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid
PubChem CID14888730
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid
SMILESCC(C)(C)n1nnc(-c2ccc(CCC(=O)O)cc2)n1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)18-16-13(15-17-18)11-7-4-10(5-8-11)6-9-12(19)20/h4-5,7-8H,6,9H2,1-3H3,(H,19,20)
InChIKeyBZAXSXFDXWOUKH-UHFFFAOYSA-N
XLogP2.11
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-5-phenyltetrazole;propanoic acid
CID 70399498
[4-(2-tert-butyltetrazol-5-yl)phenyl]boronic acid
CID 11390931
4-[4-(2-methyltetrazol-5-yl)phenyl]butan-2-one
CID 22087183
(2S)-2-methyl-3-[4-(2-trityltetrazol-5-yl)phenyl]propanoic acid
CID 59894530
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
3-[4-(5-bromopyrimidin-2-yl)phenyl]propanoic acid
CID 145005858
3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid
CID 119089174
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195
3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
CID 9468283
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid (CID 14888730) is 3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid is CC(C)(C)n1nnc(-c2ccc(CCC(=O)O)cc2)n1.
What is the InChIKey of 3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid?
The InChIKey is BZAXSXFDXWOUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,3)18-16-13(15-17-18)11-7-4-10(5-8-11)6-9-12(19)20/h4-5,7-8H,6,9H2,1-3H3,(H,19,20).
What are the key properties of 3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid?
3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-tert-butyltetrazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 14888730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).