4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid

C8H14N4O3 — CID 81071951

IUPAC4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid
SMILESCOCc1nnnn1CC(C)CC(=O)O
InChIInChI=1S/C8H14N4O3/c1-6(3-8(13)14)4-12-7(5-15-2)9-10-11-12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyOCPJTRIUYYPPSY-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.07
Rot. Bonds6

About 4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid

4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid (PubChem CID 81071951) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid
PubChem CID81071951
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid
SMILESCOCc1nnnn1CC(C)CC(=O)O
InChIInChI=1S/C8H14N4O3/c1-6(3-8(13)14)4-12-7(5-15-2)9-10-11-12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyOCPJTRIUYYPPSY-UHFFFAOYSA-N
XLogP-0.07
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic 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-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid?
The IUPAC name of 4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid (CID 81071951) is 4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid.
What is the SMILES notation for 4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid?
The canonical SMILES for 4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid is COCc1nnnn1CC(C)CC(=O)O.
What is the InChIKey of 4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid?
The InChIKey is OCPJTRIUYYPPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-6(3-8(13)14)4-12-7(5-15-2)9-10-11-12/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid?
4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid has a molecular weight of 214.22 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid is sourced from PubChem (CID 81071951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).