2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid

C8H8N4O2S — CID 66043385

IUPAC2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nnnc1-c1ccsc1
InChIInChI=1S/C8H8N4O2S/c1-5(8(13)14)12-7(9-10-11-12)6-2-3-15-4-6/h2-5H,1H3,(H,13,14)
InChIKeyNSRZHHXSQMDPPM-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.05
Rot. Bonds3

About 2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid

2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid (PubChem CID 66043385) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid
PubChem CID66043385
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nnnc1-c1ccsc1
InChIInChI=1S/C8H8N4O2S/c1-5(8(13)14)12-7(9-10-11-12)6-2-3-15-4-6/h2-5H,1H3,(H,13,14)
InChIKeyNSRZHHXSQMDPPM-UHFFFAOYSA-N
XLogP1.05
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid (CID 66043385) is 2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid is CC(C(=O)O)n1nnnc1-c1ccsc1.
What is the InChIKey of 2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid?
The InChIKey is NSRZHHXSQMDPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-5(8(13)14)12-7(9-10-11-12)6-2-3-15-4-6/h2-5H,1H3,(H,13,14).
What are the key properties of 2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid?
2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid has a molecular weight of 224.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 66043385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).