3-[3-(tetrazol-1-yl)phenoxy]propanoic acid

C10H10N4O3 — CID 82513199

IUPAC3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
SMILESO=C(O)CCOc1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H10N4O3/c15-10(16)4-5-17-9-3-1-2-8(6-9)14-7-11-12-13-14/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyVVWJTARNCNQROM-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.52
Rot. Bonds5

About 3-[3-(tetrazol-1-yl)phenoxy]propanoic acid

3-[3-(tetrazol-1-yl)phenoxy]propanoic acid (PubChem CID 82513199) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-[3-(tetrazol-1-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
PubChem CID82513199
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
SMILESO=C(O)CCOc1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H10N4O3/c15-10(16)4-5-17-9-3-1-2-8(6-9)14-7-11-12-13-14/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyVVWJTARNCNQROM-UHFFFAOYSA-N
XLogP0.52
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1,2,4-triazol-4-yl)phenoxy]propanoic acid
CID 82513156
3-[3-(triazol-1-yl)phenoxy]propanoic acid
CID 82513165
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
2-(3-bromophenoxy)ethyl 3-(tetrazol-1-yl)benzoate
CID 18080462
N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769206
N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
CID 31916303
[3-(tetrazol-1-yl)phenyl] 3,5-dimethylbenzoate
CID 4822212
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455

Frequently Asked Questions

What is the IUPAC name of 3-[3-(tetrazol-1-yl)phenoxy]propanoic acid?
The IUPAC name of 3-[3-(tetrazol-1-yl)phenoxy]propanoic acid (CID 82513199) is 3-[3-(tetrazol-1-yl)phenoxy]propanoic acid.
What is the SMILES notation for 3-[3-(tetrazol-1-yl)phenoxy]propanoic acid?
The canonical SMILES for 3-[3-(tetrazol-1-yl)phenoxy]propanoic acid is O=C(O)CCOc1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-[3-(tetrazol-1-yl)phenoxy]propanoic acid?
The InChIKey is VVWJTARNCNQROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c15-10(16)4-5-17-9-3-1-2-8(6-9)14-7-11-12-13-14/h1-3,6-7H,4-5H2,(H,15,16).
What are the key properties of 3-[3-(tetrazol-1-yl)phenoxy]propanoic acid?
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid has a molecular weight of 234.22 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(tetrazol-1-yl)phenoxy]propanoic acid is sourced from PubChem (CID 82513199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).