3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid

C11H11FN4O2 — CID 113396072

IUPAC3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid
SMILESCc1cc(F)cc(-c2nnnn2CCC(=O)O)c1
InChIInChI=1S/C11H11FN4O2/c1-7-4-8(6-9(12)5-7)11-13-14-15-16(11)3-2-10(17)18/h4-6H,2-3H2,1H3,(H,17,18)
InChIKeyCXJBMAYQFKVBCO-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.26
Rot. Bonds4

About 3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid

3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid (PubChem CID 113396072) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid
PubChem CID113396072
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid
SMILESCc1cc(F)cc(-c2nnnn2CCC(=O)O)c1
InChIInChI=1S/C11H11FN4O2/c1-7-4-8(6-9(12)5-7)11-13-14-15-16(11)3-2-10(17)18/h4-6H,2-3H2,1H3,(H,17,18)
InChIKeyCXJBMAYQFKVBCO-UHFFFAOYSA-N
XLogP1.26
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid
CID 104786745
4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 66044137
3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid
CID 66040610
4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid
CID 66046763
6-[5-(4-methylphenyl)tetrazol-1-yl]hexanoic acid
CID 82226289
4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
CID 113400421
3-[[5-(3,5-difluorophenyl)tetrazol-1-yl]methyl]pentanoic acid
CID 81068091
3-[5-(1-methylimidazol-4-yl)tetrazol-1-yl]propanoic acid
CID 107975976
4-[5-(3,5-dibromophenyl)tetrazol-1-yl]butanoic acid
CID 114023073
3-[5-(3-bromo-4-methoxyphenyl)tetrazol-1-yl]propanoic acid
CID 66041010
3-[5-(4-bromo-3-chlorophenyl)tetrazol-1-yl]propanoic acid
CID 81308251
3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
CID 103123567

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid (CID 113396072) is 3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid is Cc1cc(F)cc(-c2nnnn2CCC(=O)O)c1.
What is the InChIKey of 3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid?
The InChIKey is CXJBMAYQFKVBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-7-4-8(6-9(12)5-7)11-13-14-15-16(11)3-2-10(17)18/h4-6H,2-3H2,1H3,(H,17,18).
What are the key properties of 3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid?
3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid has a molecular weight of 250.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 113396072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).