2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid

C13H15FN4O2 — CID 82226046

IUPAC2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1nnnc1Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN4O2/c1-2-3-11(13(19)20)18-12(15-16-17-18)8-9-4-6-10(14)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,19,20)
InChIKeyVAEGBFVEKGTRJT-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.83
Rot. Bonds6

About 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid

2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid (PubChem CID 82226046) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid
PubChem CID82226046
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1nnnc1Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN4O2/c1-2-3-11(13(19)20)18-12(15-16-17-18)8-9-4-6-10(14)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,19,20)
InChIKeyVAEGBFVEKGTRJT-UHFFFAOYSA-N
XLogP1.83
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid
CID 82226164
2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid
CID 82226047
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid
CID 82225898
2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid
CID 82226060
3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
CID 81068876
2-[5-(4-bromophenyl)tetrazol-1-yl]pentanoic acid
CID 82226038
2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid
CID 82226071
3-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]butanoic acid
CID 66041427
2-(5-propan-2-yltetrazol-1-yl)hexanoic acid
CID 82226143
(2S)-N-(3,4-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]pentanamide
CID 93301277
4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid
CID 153294749
4-[5-[(3,4-dichlorophenyl)methyl]tetrazol-1-yl]-2-methylbutanoic acid
CID 80541682

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid (CID 82226046) is 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid is CCCC(C(=O)O)n1nnnc1Cc1ccc(F)cc1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid?
The InChIKey is VAEGBFVEKGTRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-2-3-11(13(19)20)18-12(15-16-17-18)8-9-4-6-10(14)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,19,20).
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid?
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid has a molecular weight of 278.29 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid is sourced from PubChem (CID 82226046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).