3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid

C11H11FN4O3 — CID 66042415

IUPAC3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid
SMILESCOc1cccc(F)c1-c1nnnn1CCC(=O)O
InChIInChI=1S/C11H11FN4O3/c1-19-8-4-2-3-7(12)10(8)11-13-14-15-16(11)6-5-9(17)18/h2-4H,5-6H2,1H3,(H,17,18)
InChIKeyYWWIVUDJVWAXMZ-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.96
Rot. Bonds5

About 3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid

3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid (PubChem CID 66042415) has the molecular formula C11H11FN4O3 and a molecular weight of 266.23 g/mol. Its IUPAC name is 3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid
PubChem CID66042415
Molecular FormulaC11H11FN4O3
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid
SMILESCOc1cccc(F)c1-c1nnnn1CCC(=O)O
InChIInChI=1S/C11H11FN4O3/c1-19-8-4-2-3-7(12)10(8)11-13-14-15-16(11)6-5-9(17)18/h2-4H,5-6H2,1H3,(H,17,18)
InChIKeyYWWIVUDJVWAXMZ-UHFFFAOYSA-N
XLogP0.96
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid (CID 66042415) is 3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid is COc1cccc(F)c1-c1nnnn1CCC(=O)O.
What is the InChIKey of 3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid?
The InChIKey is YWWIVUDJVWAXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3/c1-19-8-4-2-3-7(12)10(8)11-13-14-15-16(11)6-5-9(17)18/h2-4H,5-6H2,1H3,(H,17,18).
What are the key properties of 3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid?
3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid has a molecular weight of 266.23 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66042415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).