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

C8H14N4O2 — CID 66040575

IUPAC2-(5-tert-butyltetrazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nnnc1C(C)(C)C
InChIInChI=1S/C8H14N4O2/c1-5(6(13)14)12-7(8(2,3)4)9-10-11-12/h5H,1-4H3,(H,13,14)
InChIKeyLPCRNNCUHGCOQM-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.62
Rot. Bonds2

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

2-(5-tert-butyltetrazol-1-yl)propanoic acid (PubChem CID 66040575) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)propanoic acid
PubChem CID66040575
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-(5-tert-butyltetrazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nnnc1C(C)(C)C
InChIInChI=1S/C8H14N4O2/c1-5(6(13)14)12-7(8(2,3)4)9-10-11-12/h5H,1-4H3,(H,13,14)
InChIKeyLPCRNNCUHGCOQM-UHFFFAOYSA-N
XLogP0.62
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-Methoxypropan-2-yl)tetrazol-1-yl]propanoic acid
CID 103028682
2-[5-(2,2,2-Trifluoroethyl)tetrazol-1-yl]propanoic acid
CID 66041373
2-[5-(Trifluoromethyl)tetrazol-1-yl]propanoic acid
CID 66041576
2-[5-(1,1,2,2,2-Pentafluoroethyl)tetrazol-1-yl]propanoic acid
CID 66041589
2-[5-(3,3,3-Trifluoropropyl)tetrazol-1-yl]propanoic acid
CID 66041990
2-[5-(Difluoromethyl)tetrazol-1-yl]propanoic acid
CID 66043589
2-[5-(1,1,2,2-Tetrafluoroethyl)tetrazol-1-yl]propanoic acid
CID 79660293
1-(2-Fluoro-2-methylpropyl)tetrazole-5-carboxylic acid
CID 84661283
2-[5-[2-(2,2-Difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid
CID 103213478
2-[5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)tetrazol-1-yl]propanoic acid
CID 103311253
2-[5-[2-(2,2,2-Trifluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid
CID 113789023
2-[5-(2-Fluoropropan-2-yl)tetrazol-1-yl]acetic acid
CID 130561793

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)propanoic acid (CID 66040575) is 2-(5-tert-butyltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)propanoic acid is CC(C(=O)O)n1nnnc1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)propanoic acid?
The InChIKey is LPCRNNCUHGCOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(6(13)14)12-7(8(2,3)4)9-10-11-12/h5H,1-4H3,(H,13,14).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)propanoic acid?
2-(5-tert-butyltetrazol-1-yl)propanoic acid has a molecular weight of 198.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 66040575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).