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

C12H12FN5O2 — CID 104643324

IUPAC3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1-c1ccc(F)cn1
InChIInChI=1S/C12H12FN5O2/c13-8-3-4-9(14-6-8)12-15-16-17-18(12)10(5-11(19)20)7-1-2-7/h3-4,6-7,10H,1-2,5H2,(H,19,20)
InChIKeyIOJKXZIWCRPRCP-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.30
Rot. Bonds5

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

3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid (PubChem CID 104643324) has the molecular formula C12H12FN5O2 and a molecular weight of 277.26 g/mol. Its IUPAC name is 3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid
PubChem CID104643324
Molecular FormulaC12H12FN5O2
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC Name3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1-c1ccc(F)cn1
InChIInChI=1S/C12H12FN5O2/c13-8-3-4-9(14-6-8)12-15-16-17-18(12)10(5-11(19)20)7-1-2-7/h3-4,6-7,10H,1-2,5H2,(H,19,20)
InChIKeyIOJKXZIWCRPRCP-UHFFFAOYSA-N
XLogP1.30
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
CID 104643323
3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid
CID 82002253
3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid
CID 82003607
3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid
CID 107967114
3-(5-cyclohexyltetrazol-1-yl)-3-cyclopropylpropanoic acid
CID 82002908
3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid
CID 82003198
3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid
CID 82002827
1-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 104643317
2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 104643311
2-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]ethanamine
CID 79713126
3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 82002630
3-[5-(5-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
CID 66044111

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid (CID 104643324) is 3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid is O=C(O)CC(C1CC1)n1nnnc1-c1ccc(F)cn1.
What is the InChIKey of 3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid?
The InChIKey is IOJKXZIWCRPRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O2/c13-8-3-4-9(14-6-8)12-15-16-17-18(12)10(5-11(19)20)7-1-2-7/h3-4,6-7,10H,1-2,5H2,(H,19,20).
What are the key properties of 3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid?
3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid has a molecular weight of 277.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 104643324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).