4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid

C13H16N4O4 — CID 156622018

IUPAC4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid
SMILESCCc1nnn(C[C@@H](O)COc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C13H16N4O4/c1-2-12-14-16-17(15-12)7-10(18)8-21-11-5-3-9(4-6-11)13(19)20/h3-6,10,18H,2,7-8H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyPXSLZEFRZIDYAS-SNVBAGLBSA-N
MW292.30 g/mol
LogP0.37
Rot. Bonds7

About 4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid

4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid (PubChem CID 156622018) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid.

Molecular Properties

Compound Name4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid
PubChem CID156622018
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid
SMILESCCc1nnn(C[C@@H](O)COc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C13H16N4O4/c1-2-12-14-16-17(15-12)7-10(18)8-21-11-5-3-9(4-6-11)13(19)20/h3-6,10,18H,2,7-8H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyPXSLZEFRZIDYAS-SNVBAGLBSA-N
XLogP0.37
TPSA110.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid
CID 139351628
4-[2-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 30661571
(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
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(2R)-1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94817374
4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]benzoic acid
CID 3151266
4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]benzoic acid
CID 40563095
4-(3-fluoro-2-hydroxypropoxy)benzoic acid
CID 155165109
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
4-[2-methyl-3-(tetrazol-1-yl)propoxy]benzoic acid
CID 139364228
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
CID 32768070

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid?
The IUPAC name of 4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid (CID 156622018) is 4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid.
What is the SMILES notation for 4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid?
The canonical SMILES for 4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid is CCc1nnn(C[C@@H](O)COc2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid?
The InChIKey is PXSLZEFRZIDYAS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-2-12-14-16-17(15-12)7-10(18)8-21-11-5-3-9(4-6-11)13(19)20/h3-6,10,18H,2,7-8H2,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of 4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid?
4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid has a molecular weight of 292.30 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid is sourced from PubChem (CID 156622018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).