4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid

C10H18N4O2 — CID 80541585

IUPAC4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid
SMILESCC(CCn1nnnc1C(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N4O2/c1-7(8(15)16)5-6-14-9(10(2,3)4)11-12-13-14/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyQOOTVWJJBJRUDS-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.08
Rot. Bonds4

About 4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid

4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid (PubChem CID 80541585) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid
PubChem CID80541585
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid
SMILESCC(CCn1nnnc1C(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N4O2/c1-7(8(15)16)5-6-14-9(10(2,3)4)11-12-13-14/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyQOOTVWJJBJRUDS-UHFFFAOYSA-N
XLogP1.08
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid?
The IUPAC name of 4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid (CID 80541585) is 4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid.
What is the SMILES notation for 4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid?
The canonical SMILES for 4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid is CC(CCn1nnnc1C(C)(C)C)C(=O)O.
What is the InChIKey of 4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid?
The InChIKey is QOOTVWJJBJRUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(8(15)16)5-6-14-9(10(2,3)4)11-12-13-14/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid?
4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid is sourced from PubChem (CID 80541585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).