4-(5-cyclopropyltetrazol-1-yl)butanoic acid

C8H12N4O2 — CID 64981209

IUPAC4-(5-cyclopropyltetrazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1nnnc1C1CC1
InChIInChI=1S/C8H12N4O2/c13-7(14)2-1-5-12-8(6-3-4-6)9-10-11-12/h6H,1-5H2,(H,13,14)
InChIKeyMITGRGQCVKAOIS-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.42
Rot. Bonds5

About 4-(5-cyclopropyltetrazol-1-yl)butanoic acid

4-(5-cyclopropyltetrazol-1-yl)butanoic acid (PubChem CID 64981209) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(5-cyclopropyltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-cyclopropyltetrazol-1-yl)butanoic acid
PubChem CID64981209
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-(5-cyclopropyltetrazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1nnnc1C1CC1
InChIInChI=1S/C8H12N4O2/c13-7(14)2-1-5-12-8(6-3-4-6)9-10-11-12/h6H,1-5H2,(H,13,14)
InChIKeyMITGRGQCVKAOIS-UHFFFAOYSA-N
XLogP0.42
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyltetrazol-1-yl)butanoic acid?
The IUPAC name of 4-(5-cyclopropyltetrazol-1-yl)butanoic acid (CID 64981209) is 4-(5-cyclopropyltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(5-cyclopropyltetrazol-1-yl)butanoic acid?
The canonical SMILES for 4-(5-cyclopropyltetrazol-1-yl)butanoic acid is O=C(O)CCCn1nnnc1C1CC1.
What is the InChIKey of 4-(5-cyclopropyltetrazol-1-yl)butanoic acid?
The InChIKey is MITGRGQCVKAOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-7(14)2-1-5-12-8(6-3-4-6)9-10-11-12/h6H,1-5H2,(H,13,14).
What are the key properties of 4-(5-cyclopropyltetrazol-1-yl)butanoic acid?
4-(5-cyclopropyltetrazol-1-yl)butanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 64981209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).