2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid

C10H10N4O3 — CID 67448109

IUPAC2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid
SMILESCC(C(=O)O)n1nnc(-c2cccc(O)c2)n1
InChIInChI=1S/C10H10N4O3/c1-6(10(16)17)14-12-9(11-13-14)7-3-2-4-8(15)5-7/h2-6,15H,1H3,(H,16,17)
InChIKeyCSBCYCVZNGJAAD-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.69
Rot. Bonds3

About 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid

2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid (PubChem CID 67448109) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid
PubChem CID67448109
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid
SMILESCC(C(=O)O)n1nnc(-c2cccc(O)c2)n1
InChIInChI=1S/C10H10N4O3/c1-6(10(16)17)14-12-9(11-13-14)7-3-2-4-8(15)5-7/h2-6,15H,1H3,(H,16,17)
InChIKeyCSBCYCVZNGJAAD-UHFFFAOYSA-N
XLogP0.69
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid?
The IUPAC name of 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid (CID 67448109) is 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid?
The canonical SMILES for 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid is CC(C(=O)O)n1nnc(-c2cccc(O)c2)n1.
What is the InChIKey of 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid?
The InChIKey is CSBCYCVZNGJAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-6(10(16)17)14-12-9(11-13-14)7-3-2-4-8(15)5-7/h2-6,15H,1H3,(H,16,17).
What are the key properties of 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid?
2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid has a molecular weight of 234.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-hydroxyphenyl)tetrazol-2-yl]propanoic acid is sourced from PubChem (CID 67448109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).