3-(1-butyltetrazol-5-yl)propanoic acid

C8H14N4O2 — CID 112517702

IUPAC3-(1-butyltetrazol-5-yl)propanoic acid
SMILESCCCCn1nnnc1CCC(=O)O
InChIInChI=1S/C8H14N4O2/c1-2-3-6-12-7(9-10-11-12)4-5-8(13)14/h2-6H2,1H3,(H,13,14)
InChIKeySJXJRZLXZGZACP-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.49
Rot. Bonds6

About 3-(1-butyltetrazol-5-yl)propanoic acid

3-(1-butyltetrazol-5-yl)propanoic acid (PubChem CID 112517702) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-(1-butyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-butyltetrazol-5-yl)propanoic acid
PubChem CID112517702
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-(1-butyltetrazol-5-yl)propanoic acid
SMILESCCCCn1nnnc1CCC(=O)O
InChIInChI=1S/C8H14N4O2/c1-2-3-6-12-7(9-10-11-12)4-5-8(13)14/h2-6H2,1H3,(H,13,14)
InChIKeySJXJRZLXZGZACP-UHFFFAOYSA-N
XLogP0.49
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-butyltetrazol-5-yl)propanoic acid?
The IUPAC name of 3-(1-butyltetrazol-5-yl)propanoic acid (CID 112517702) is 3-(1-butyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(1-butyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 3-(1-butyltetrazol-5-yl)propanoic acid is CCCCn1nnnc1CCC(=O)O.
What is the InChIKey of 3-(1-butyltetrazol-5-yl)propanoic acid?
The InChIKey is SJXJRZLXZGZACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-3-6-12-7(9-10-11-12)4-5-8(13)14/h2-6H2,1H3,(H,13,14).
What are the key properties of 3-(1-butyltetrazol-5-yl)propanoic acid?
3-(1-butyltetrazol-5-yl)propanoic acid has a molecular weight of 198.23 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 112517702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).