3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid

C14H17FN4O2 — CID 81068876

IUPAC3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN4O2/c1-2-10(8-14(20)21)9-19-13(16-17-18-19)7-11-3-5-12(15)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,20,21)
InChIKeyGEPFOGPBARHKHC-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.90
Rot. Bonds7

About 3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid

3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 81068876) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
PubChem CID81068876
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN4O2/c1-2-10(8-14(20)21)9-19-13(16-17-18-19)7-11-3-5-12(15)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,20,21)
InChIKeyGEPFOGPBARHKHC-UHFFFAOYSA-N
XLogP1.90
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
CID 1454750
2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-3-phenylpropanoic acid
CID 12967958
3-(4-fluorophenyl)-2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propanoic acid
CID 42962342
8-(5-Benzhydryltetrazol-1-yl)octanoic acid
CID 10385001
9-(5-Benzhydryltetrazol-1-yl)nonanoic acid
CID 10385854
3-(3-fluorophenyl)-2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propanoic acid
CID 42962345
5-Benzyltetrazolylacetic acid
CID 14711269
4,4-Bis(4-fluorophenyl)-3-(1-propan-2-yltetrazol-5-yl)but-3-enoic acid
CID 172836991
1-[1-[1-[(4-Fluorophenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxylic acid
CID 21156966
(2S)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoic acid
CID 39870893
(2R)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoic acid
CID 39870897
(2S)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoic acid
CID 39870910

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid (CID 81068876) is 3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid is CCC(CC(=O)O)Cn1nnnc1Cc1ccc(F)cc1.
What is the InChIKey of 3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is GEPFOGPBARHKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-2-10(8-14(20)21)9-19-13(16-17-18-19)7-11-3-5-12(15)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,20,21).
What are the key properties of 3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid?
3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 292.31 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 81068876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).