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

C12H13FN4O3 — CID 82225898

IUPAC2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid
SMILESCC(O)C(C(=O)O)n1nnnc1Cc1ccc(F)cc1
InChIInChI=1S/C12H13FN4O3/c1-7(18)11(12(19)20)17-10(14-15-16-17)6-8-2-4-9(13)5-3-8/h2-5,7,11,18H,6H2,1H3,(H,19,20)
InChIKeyDQHHHYPUPKXZJU-UHFFFAOYSA-N
MW280.26 g/mol
LogP0.41
Rot. Bonds5

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

2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid (PubChem CID 82225898) has the molecular formula C12H13FN4O3 and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid
PubChem CID82225898
Molecular FormulaC12H13FN4O3
Molecular Weight280.26 g/mol
Exact Mass280.10
IUPAC Name2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid
SMILESCC(O)C(C(=O)O)n1nnnc1Cc1ccc(F)cc1
InChIInChI=1S/C12H13FN4O3/c1-7(18)11(12(19)20)17-10(14-15-16-17)6-8-2-4-9(13)5-3-8/h2-5,7,11,18H,6H2,1H3,(H,19,20)
InChIKeyDQHHHYPUPKXZJU-UHFFFAOYSA-N
XLogP0.41
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid (CID 82225898) is 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid is CC(O)C(C(=O)O)n1nnnc1Cc1ccc(F)cc1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid?
The InChIKey is DQHHHYPUPKXZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O3/c1-7(18)11(12(19)20)17-10(14-15-16-17)6-8-2-4-9(13)5-3-8/h2-5,7,11,18H,6H2,1H3,(H,19,20).
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid?
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid has a molecular weight of 280.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid is sourced from PubChem (CID 82225898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).