4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid

C9H10N4O2S — CID 66044381

IUPAC4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1nnnc1-c1ccsc1
InChIInChI=1S/C9H10N4O2S/c14-8(15)2-1-4-13-9(10-11-12-13)7-3-5-16-6-7/h3,5-6H,1-2,4H2,(H,14,15)
InChIKeyAPTKUHNUCOJULQ-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.27
Rot. Bonds5

About 4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid

4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid (PubChem CID 66044381) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid
PubChem CID66044381
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1nnnc1-c1ccsc1
InChIInChI=1S/C9H10N4O2S/c14-8(15)2-1-4-13-9(10-11-12-13)7-3-5-16-6-7/h3,5-6H,1-2,4H2,(H,14,15)
InChIKeyAPTKUHNUCOJULQ-UHFFFAOYSA-N
XLogP1.27
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid?
The IUPAC name of 4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid (CID 66044381) is 4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid?
The canonical SMILES for 4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid is O=C(O)CCCn1nnnc1-c1ccsc1.
What is the InChIKey of 4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid?
The InChIKey is APTKUHNUCOJULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c14-8(15)2-1-4-13-9(10-11-12-13)7-3-5-16-6-7/h3,5-6H,1-2,4H2,(H,14,15).
What are the key properties of 4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid?
4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid has a molecular weight of 238.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-thiophen-3-yltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 66044381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).