3-phenyl-2-(tetrazol-1-yl)propanoic acid

C10H10N4O2 — CID 658345

IUPAC3-phenyl-2-(tetrazol-1-yl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C10H10N4O2/c15-10(16)9(14-7-11-12-13-14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,16)
InChIKeyCJFZFWRBAQCHFO-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.54
Rot. Bonds4

About 3-phenyl-2-(tetrazol-1-yl)propanoic acid

3-phenyl-2-(tetrazol-1-yl)propanoic acid (PubChem CID 658345) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-phenyl-2-(tetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(tetrazol-1-yl)propanoic acid
PubChem CID658345
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-phenyl-2-(tetrazol-1-yl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C10H10N4O2/c15-10(16)9(14-7-11-12-13-14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,16)
InChIKeyCJFZFWRBAQCHFO-UHFFFAOYSA-N
XLogP0.54
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(tetrazol-1-yl)propanoic acid?
The IUPAC name of 3-phenyl-2-(tetrazol-1-yl)propanoic acid (CID 658345) is 3-phenyl-2-(tetrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(tetrazol-1-yl)propanoic acid?
The canonical SMILES for 3-phenyl-2-(tetrazol-1-yl)propanoic acid is O=C(O)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of 3-phenyl-2-(tetrazol-1-yl)propanoic acid?
The InChIKey is CJFZFWRBAQCHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(16)9(14-7-11-12-13-14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,16).
What are the key properties of 3-phenyl-2-(tetrazol-1-yl)propanoic acid?
3-phenyl-2-(tetrazol-1-yl)propanoic acid has a molecular weight of 218.22 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(tetrazol-1-yl)propanoic acid is sourced from PubChem (CID 658345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).