2-(1-tert-butyltetrazol-5-yl)acetic acid

C7H12N4O2 — CID 83876391

IUPAC2-(1-tert-butyltetrazol-5-yl)acetic acid
SMILESCC(C)(C)n1nnnc1CC(=O)O
InChIInChI=1S/C7H12N4O2/c1-7(2,3)11-5(4-6(12)13)8-9-10-11/h4H2,1-3H3,(H,12,13)
InChIKeyPDPUZAMRMOICRR-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.06
Rot. Bonds2

About 2-(1-tert-butyltetrazol-5-yl)acetic acid

2-(1-tert-butyltetrazol-5-yl)acetic acid (PubChem CID 83876391) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(1-tert-butyltetrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-tert-butyltetrazol-5-yl)acetic acid
PubChem CID83876391
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-(1-tert-butyltetrazol-5-yl)acetic acid
SMILESCC(C)(C)n1nnnc1CC(=O)O
InChIInChI=1S/C7H12N4O2/c1-7(2,3)11-5(4-6(12)13)8-9-10-11/h4H2,1-3H3,(H,12,13)
InChIKeyPDPUZAMRMOICRR-UHFFFAOYSA-N
XLogP0.06
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyltetrazol-5-yl)acetic acid?
The IUPAC name of 2-(1-tert-butyltetrazol-5-yl)acetic acid (CID 83876391) is 2-(1-tert-butyltetrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1-tert-butyltetrazol-5-yl)acetic acid?
The canonical SMILES for 2-(1-tert-butyltetrazol-5-yl)acetic acid is CC(C)(C)n1nnnc1CC(=O)O.
What is the InChIKey of 2-(1-tert-butyltetrazol-5-yl)acetic acid?
The InChIKey is PDPUZAMRMOICRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-7(2,3)11-5(4-6(12)13)8-9-10-11/h4H2,1-3H3,(H,12,13).
What are the key properties of 2-(1-tert-butyltetrazol-5-yl)acetic acid?
2-(1-tert-butyltetrazol-5-yl)acetic acid has a molecular weight of 184.20 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyltetrazol-5-yl)acetic acid is sourced from PubChem (CID 83876391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).