2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid

C11H12N4O2 — CID 12967958

IUPAC2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid
SMILESCc1nnnn1C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H12N4O2/c1-8-12-13-14-15(8)10(11(16)17)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)
InChIKeyIKDRNMRRAQQCEX-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.85
Rot. Bonds4

About 2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid

2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid (PubChem CID 12967958) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid
PubChem CID12967958
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid
SMILESCc1nnnn1C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H12N4O2/c1-8-12-13-14-15(8)10(11(16)17)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)
InChIKeyIKDRNMRRAQQCEX-UHFFFAOYSA-N
XLogP0.85
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid?
The IUPAC name of 2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid (CID 12967958) is 2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid?
The canonical SMILES for 2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid is Cc1nnnn1C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid?
The InChIKey is IKDRNMRRAQQCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8-12-13-14-15(8)10(11(16)17)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17).
What are the key properties of 2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid?
2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid has a molecular weight of 232.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 12967958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).