4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid

C13H15FN4O3 — CID 103160538

IUPAC4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1Cc1ccccc1F
InChIInChI=1S/C13H15FN4O3/c1-21-10(7-13(19)20)8-18-12(15-16-17-18)6-9-4-2-3-5-11(9)14/h2-5,10H,6-8H2,1H3,(H,19,20)
InChIKeyBJNQJDMIBWOHSF-UHFFFAOYSA-N
MW294.29 g/mol
LogP0.89
Rot. Bonds7

About 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid

4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid (PubChem CID 103160538) has the molecular formula C13H15FN4O3 and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid
PubChem CID103160538
Molecular FormulaC13H15FN4O3
Molecular Weight294.29 g/mol
Exact Mass294.11
IUPAC Name4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1Cc1ccccc1F
InChIInChI=1S/C13H15FN4O3/c1-21-10(7-13(19)20)8-18-12(15-16-17-18)6-9-4-2-3-5-11(9)14/h2-5,10H,6-8H2,1H3,(H,19,20)
InChIKeyBJNQJDMIBWOHSF-UHFFFAOYSA-N
XLogP0.89
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid
CID 103160380
4-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160437
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
CID 66047470
3-methoxy-4-[5-(2-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 103160464
3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 103160471
4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160390
3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid
CID 103160452
3-methoxy-4-[5-(4-methylsulfanylphenyl)tetrazol-1-yl]butanoic acid
CID 103160384
4-[5-(3,5-dichlorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160413
4-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160559
4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid
CID 103160438
4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160348

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid?
The IUPAC name of 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid (CID 103160538) is 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid?
The canonical SMILES for 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid is COC(CC(=O)O)Cn1nnnc1Cc1ccccc1F.
What is the InChIKey of 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid?
The InChIKey is BJNQJDMIBWOHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O3/c1-21-10(7-13(19)20)8-18-12(15-16-17-18)6-9-4-2-3-5-11(9)14/h2-5,10H,6-8H2,1H3,(H,19,20).
What are the key properties of 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid?
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid has a molecular weight of 294.29 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid is sourced from PubChem (CID 103160538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).