2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid

C8H14N4O2 — CID 66046752

IUPAC2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid
SMILESCCCc1nnnn1CC(C)C(=O)O
InChIInChI=1S/C8H14N4O2/c1-3-4-7-9-10-11-12(7)5-6(2)8(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyQPNARVISWAUJLQ-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.35
Rot. Bonds5

About 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid

2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid (PubChem CID 66046752) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid
PubChem CID66046752
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid
SMILESCCCc1nnnn1CC(C)C(=O)O
InChIInChI=1S/C8H14N4O2/c1-3-4-7-9-10-11-12(7)5-6(2)8(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyQPNARVISWAUJLQ-UHFFFAOYSA-N
XLogP0.35
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid (CID 66046752) is 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid is CCCc1nnnn1CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid?
The InChIKey is QPNARVISWAUJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-4-7-9-10-11-12(7)5-6(2)8(13)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid?
2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid has a molecular weight of 198.23 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 66046752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).