4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid

C11H13N5O2 — CID 50948016

IUPAC4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid
SMILESNc1ccccc1-c1nnn(CCCC(=O)O)n1
InChIInChI=1S/C11H13N5O2/c12-9-5-2-1-4-8(9)11-13-15-16(14-11)7-3-6-10(17)18/h1-2,4-5H,3,6-7,12H2,(H,17,18)
InChIKeyGIRCUYJRGWVERY-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.79
Rot. Bonds5

About 4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid

4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid (PubChem CID 50948016) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid
PubChem CID50948016
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid
SMILESNc1ccccc1-c1nnn(CCCC(=O)O)n1
InChIInChI=1S/C11H13N5O2/c12-9-5-2-1-4-8(9)11-13-15-16(14-11)7-3-6-10(17)18/h1-2,4-5H,3,6-7,12H2,(H,17,18)
InChIKeyGIRCUYJRGWVERY-UHFFFAOYSA-N
XLogP0.79
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid (CID 50948016) is 4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid is Nc1ccccc1-c1nnn(CCCC(=O)O)n1.
What is the InChIKey of 4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid?
The InChIKey is GIRCUYJRGWVERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-9-5-2-1-4-8(9)11-13-15-16(14-11)7-3-6-10(17)18/h1-2,4-5H,3,6-7,12H2,(H,17,18).
What are the key properties of 4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid?
4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid has a molecular weight of 247.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminophenyl)tetrazol-2-yl]butanoic acid is sourced from PubChem (CID 50948016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).