3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid

C18H18N4O2 — CID 94970264

IUPAC3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N4O2/c23-18(24)11-12-22-17(19-20-21-22)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,23,24)
InChIKeyLMEQMRZEHBZMGY-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.52
Rot. Bonds7

About 3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid

3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid (PubChem CID 94970264) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid
PubChem CID94970264
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N4O2/c23-18(24)11-12-22-17(19-20-21-22)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,23,24)
InChIKeyLMEQMRZEHBZMGY-UHFFFAOYSA-N
XLogP2.52
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
CID 84759774
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
CID 66047470
3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid
CID 66043212
3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
CID 66040608
2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid
CID 62108843
4-[5-(2,3,3-trimethylbutyl)tetrazol-1-yl]butanoic acid
CID 66046773
4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid
CID 113269967
3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid
CID 84758866
2-(1-benzhydryltetrazol-5-yl)acetic acid
CID 84758807
3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid
CID 84758880
2-methyl-4-[5-(phenylsulfanylmethyl)tetrazol-1-yl]butanoic acid
CID 80541595
3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid
CID 136742815

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid (CID 94970264) is 3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid is O=C(O)CCn1nnnc1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid?
The InChIKey is LMEQMRZEHBZMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(24)11-12-22-17(19-20-21-22)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,23,24).
What are the key properties of 3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid?
3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid has a molecular weight of 322.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 94970264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).