4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid

C12H22N4O2 — CID 22243678

IUPAC4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid
SMILESCCCn1nnnc1C(C)C(CC(C)C)C(=O)O
InChIInChI=1S/C12H22N4O2/c1-5-6-16-11(13-14-15-16)9(4)10(12(17)18)7-8(2)3/h8-10H,5-7H2,1-4H3,(H,17,18)
InChIKeyJJMQVTGVGLLYEA-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.93
Rot. Bonds7

About 4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid

4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid (PubChem CID 22243678) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid
PubChem CID22243678
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid
SMILESCCCn1nnnc1C(C)C(CC(C)C)C(=O)O
InChIInChI=1S/C12H22N4O2/c1-5-6-16-11(13-14-15-16)9(4)10(12(17)18)7-8(2)3/h8-10H,5-7H2,1-4H3,(H,17,18)
InChIKeyJJMQVTGVGLLYEA-UHFFFAOYSA-N
XLogP1.93
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic 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 4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid (CID 22243678) is 4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid is CCCn1nnnc1C(C)C(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid?
The InChIKey is JJMQVTGVGLLYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-6-16-11(13-14-15-16)9(4)10(12(17)18)7-8(2)3/h8-10H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid?
4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid is sourced from PubChem (CID 22243678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).