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

C8H13FN4O2 — CID 84681639

IUPAC3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid
SMILESCC(C)(F)Cn1nnnc1CCC(=O)O
InChIInChI=1S/C8H13FN4O2/c1-8(2,9)5-13-6(10-11-12-13)3-4-7(14)15/h3-5H2,1-2H3,(H,14,15)
InChIKeyJTDPCXFINRMHHH-UHFFFAOYSA-N
MW216.22 g/mol
LogP0.44
Rot. Bonds5

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

3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid (PubChem CID 84681639) has the molecular formula C8H13FN4O2 and a molecular weight of 216.22 g/mol. Its IUPAC name is 3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid
PubChem CID84681639
Molecular FormulaC8H13FN4O2
Molecular Weight216.22 g/mol
Exact Mass216.10
IUPAC Name3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid
SMILESCC(C)(F)Cn1nnnc1CCC(=O)O
InChIInChI=1S/C8H13FN4O2/c1-8(2,9)5-13-6(10-11-12-13)3-4-7(14)15/h3-5H2,1-2H3,(H,14,15)
InChIKeyJTDPCXFINRMHHH-UHFFFAOYSA-N
XLogP0.44
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid
CID 84758866
3-[1-(2-methylprop-2-enyl)tetrazol-5-yl]propanoic acid
CID 84758869
3-(1-octadecyltetrazol-5-yl)propanoic acid
CID 162532467
3-(1-but-3-enyltetrazol-5-yl)propanoic acid
CID 84758895
2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid
CID 84681641
3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid
CID 84689166
4-(1-prop-2-ynyltetrazol-5-yl)butanoic acid
CID 84750964
3-[1-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]propanoic acid
CID 84758832
3-[1-[(3-methoxycarbonylphenyl)methyl]tetrazol-5-yl]propanoic acid
CID 84758853
5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid
CID 84758881
4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid
CID 66046773
3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]propanoic acid
CID 82295190

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid?
The IUPAC name of 3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid (CID 84681639) is 3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid is CC(C)(F)Cn1nnnc1CCC(=O)O.
What is the InChIKey of 3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid?
The InChIKey is JTDPCXFINRMHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O2/c1-8(2,9)5-13-6(10-11-12-13)3-4-7(14)15/h3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid?
3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid has a molecular weight of 216.22 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid is sourced from PubChem (CID 84681639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).