3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid

C10H10N4O2 — CID 82127283

IUPAC3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
SMILESO=C(O)CC(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C10H10N4O2/c15-9(16)6-8(10-11-13-14-12-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,16)(H,11,12,13,14)
InChIKeyUOQWIAIQEXKPAN-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.81
Rot. Bonds4

About 3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid

3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid (PubChem CID 82127283) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
PubChem CID82127283
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
SMILESO=C(O)CC(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C10H10N4O2/c15-9(16)6-8(10-11-13-14-12-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,16)(H,11,12,13,14)
InChIKeyUOQWIAIQEXKPAN-UHFFFAOYSA-N
XLogP0.81
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid?
The IUPAC name of 3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid (CID 82127283) is 3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid?
The canonical SMILES for 3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid is O=C(O)CC(c1ccccc1)c1nn[nH]n1.
What is the InChIKey of 3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid?
The InChIKey is UOQWIAIQEXKPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-9(16)6-8(10-11-13-14-12-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,16)(H,11,12,13,14).
What are the key properties of 3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid?
3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid has a molecular weight of 218.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid is sourced from PubChem (CID 82127283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).