4-(tetrazol-1-yl)butanoic acid

C5H8N4O2 — CID 22996543

IUPAC4-(tetrazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1cnnn1
InChIInChI=1S/C5H8N4O2/c10-5(11)2-1-3-9-4-6-7-8-9/h4H,1-3H2,(H,10,11)
InChIKeyOFKHGGBURKUCOM-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.46
Rot. Bonds4

About 4-(tetrazol-1-yl)butanoic acid

4-(tetrazol-1-yl)butanoic acid (PubChem CID 22996543) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(tetrazol-1-yl)butanoic acid
PubChem CID22996543
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name4-(tetrazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1cnnn1
InChIInChI=1S/C5H8N4O2/c10-5(11)2-1-3-9-4-6-7-8-9/h4H,1-3H2,(H,10,11)
InChIKeyOFKHGGBURKUCOM-UHFFFAOYSA-N
XLogP-0.46
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid
CID 1273034
4-(1H-1,2,4-triazol-1-yl)butanoic acid
CID 3157456
4-(1H-1,2,4-triazol-1-yl)butanoic acid hydrochloride
CID 53398849
4H-1,2,4-Triazole-4-butanoic acid
CID 12888413
2-Fluoro-3-(tetrazol-1-yl)propanoic acid
CID 84650989
2,2-difluoro-4-(1H-1,2,3,4-tetrazol-1-yl)butanoic acid
CID 165834092
4-(5-Methyl-1,2,3,4-tetrazol-1-yl)butyric acid
CID 12806313
6-(1H-tetrazol-1-yl)hexanoic acid
CID 21280275
5-(1H-Tetrazol-1-yl)pentanoic acid
CID 21280290
3-(Tetrazol-1-yl)butanoic acid
CID 21280300
2-(Tetrazol-1-yl)butanoic acid
CID 21280327
2-methyl-4-(1H-1,2,4-triazol-1-yl)butanoic acid
CID 54323412

Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)butanoic acid?
The IUPAC name of 4-(tetrazol-1-yl)butanoic acid (CID 22996543) is 4-(tetrazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(tetrazol-1-yl)butanoic acid?
The canonical SMILES for 4-(tetrazol-1-yl)butanoic acid is O=C(O)CCCn1cnnn1.
What is the InChIKey of 4-(tetrazol-1-yl)butanoic acid?
The InChIKey is OFKHGGBURKUCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c10-5(11)2-1-3-9-4-6-7-8-9/h4H,1-3H2,(H,10,11).
What are the key properties of 4-(tetrazol-1-yl)butanoic acid?
4-(tetrazol-1-yl)butanoic acid has a molecular weight of 156.15 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)butanoic acid is sourced from PubChem (CID 22996543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).