2-[4-(tetrazol-1-yl)phenoxy]propanoic acid

C10H10N4O3 — CID 6485344

IUPAC2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(-n2cnnn2)cc1)C(=O)O
InChIInChI=1S/C10H10N4O3/c1-7(10(15)16)17-9-4-2-8(3-5-9)14-6-11-12-13-14/h2-7H,1H3,(H,15,16)
InChIKeyLQXQKXFJECQNIC-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.51
Rot. Bonds4

About 2-[4-(tetrazol-1-yl)phenoxy]propanoic acid

2-[4-(tetrazol-1-yl)phenoxy]propanoic acid (PubChem CID 6485344) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[4-(tetrazol-1-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
PubChem CID6485344
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(-n2cnnn2)cc1)C(=O)O
InChIInChI=1S/C10H10N4O3/c1-7(10(15)16)17-9-4-2-8(3-5-9)14-6-11-12-13-14/h2-7H,1H3,(H,15,16)
InChIKeyLQXQKXFJECQNIC-UHFFFAOYSA-N
XLogP0.51
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 46633897
1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
CID 45148172
(2R)-1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
CID 35329909
(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
CID 124637262
N-(4-acetylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 42903595
4-[[[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]amino]methyl]benzoic acid
CID 35330055
4-[[2-[4-(tetrazol-1-yl)phenoxy]propanoylamino]methyl]benzoic acid
CID 45148199
[4-(tetrazol-1-yl)phenyl] (2S)-2-(3,5-dimethylphenoxy)propanoate
CID 26822159
(2S)-N-(2-phenylsulfanylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 9292348
N-[2-(difluoromethoxy)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 46633898
(2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 51593101

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]propanoic acid (CID 6485344) is 2-[4-(tetrazol-1-yl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(tetrazol-1-yl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-(tetrazol-1-yl)phenoxy]propanoic acid is CC(Oc1ccc(-n2cnnn2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(tetrazol-1-yl)phenoxy]propanoic acid?
The InChIKey is LQXQKXFJECQNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-7(10(15)16)17-9-4-2-8(3-5-9)14-6-11-12-13-14/h2-7H,1H3,(H,15,16).
What are the key properties of 2-[4-(tetrazol-1-yl)phenoxy]propanoic acid?
2-[4-(tetrazol-1-yl)phenoxy]propanoic acid has a molecular weight of 234.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazol-1-yl)phenoxy]propanoic acid is sourced from PubChem (CID 6485344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).