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

C6H10N4O2 — CID 83635747

IUPAC3-(1-ethyltetrazol-5-yl)propanoic acid
SMILESCCn1nnnc1CCC(=O)O
InChIInChI=1S/C6H10N4O2/c1-2-10-5(7-8-9-10)3-4-6(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyNIRAPFGHATWEMH-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.29
Rot. Bonds4

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

3-(1-ethyltetrazol-5-yl)propanoic acid (PubChem CID 83635747) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(1-ethyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-ethyltetrazol-5-yl)propanoic acid
PubChem CID83635747
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3-(1-ethyltetrazol-5-yl)propanoic acid
SMILESCCn1nnnc1CCC(=O)O
InChIInChI=1S/C6H10N4O2/c1-2-10-5(7-8-9-10)3-4-6(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyNIRAPFGHATWEMH-UHFFFAOYSA-N
XLogP-0.29
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyltetrazol-5-yl)propanoic acid?
The IUPAC name of 3-(1-ethyltetrazol-5-yl)propanoic acid (CID 83635747) is 3-(1-ethyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(1-ethyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 3-(1-ethyltetrazol-5-yl)propanoic acid is CCn1nnnc1CCC(=O)O.
What is the InChIKey of 3-(1-ethyltetrazol-5-yl)propanoic acid?
The InChIKey is NIRAPFGHATWEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-2-10-5(7-8-9-10)3-4-6(11)12/h2-4H2,1H3,(H,11,12).
What are the key properties of 3-(1-ethyltetrazol-5-yl)propanoic acid?
3-(1-ethyltetrazol-5-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 83635747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).