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

C8H14N4O2 — CID 107045127

IUPAC2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
SMILESCCC(C)(Cc1nnn(C)n1)C(=O)O
InChIInChI=1S/C8H14N4O2/c1-4-8(2,7(13)14)5-6-9-11-12(3)10-6/h4-5H2,1-3H3,(H,13,14)
InChIKeyHXTVGAALVUCHKJ-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.25
Rot. Bonds4

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

2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid (PubChem CID 107045127) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
PubChem CID107045127
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
SMILESCCC(C)(Cc1nnn(C)n1)C(=O)O
InChIInChI=1S/C8H14N4O2/c1-4-8(2,7(13)14)5-6-9-11-12(3)10-6/h4-5H2,1-3H3,(H,13,14)
InChIKeyHXTVGAALVUCHKJ-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid (CID 107045127) is 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid is CCC(C)(Cc1nnn(C)n1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
The InChIKey is HXTVGAALVUCHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4-8(2,7(13)14)5-6-9-11-12(3)10-6/h4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid has a molecular weight of 198.23 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid is sourced from PubChem (CID 107045127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).