3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid

C8H14N4O2 — CID 107045105

IUPAC3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
SMILESCC(C)C(Cc1nnn(C)n1)C(=O)O
InChIInChI=1S/C8H14N4O2/c1-5(2)6(8(13)14)4-7-9-11-12(3)10-7/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyJLNGLDYOCKLHRD-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.11
Rot. Bonds4

About 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid

3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid (PubChem CID 107045105) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
PubChem CID107045105
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
SMILESCC(C)C(Cc1nnn(C)n1)C(=O)O
InChIInChI=1S/C8H14N4O2/c1-5(2)6(8(13)14)4-7-9-11-12(3)10-7/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyJLNGLDYOCKLHRD-UHFFFAOYSA-N
XLogP0.11
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic 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 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid (CID 107045105) is 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid is CC(C)C(Cc1nnn(C)n1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
The InChIKey is JLNGLDYOCKLHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(2)6(8(13)14)4-7-9-11-12(3)10-7/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid has a molecular weight of 198.23 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid is sourced from PubChem (CID 107045105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).