3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid

C13H16N4O4 — CID 82225903

IUPAC3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
SMILESCC(O)C(C(=O)O)n1nnnc1CCOc1ccccc1
InChIInChI=1S/C13H16N4O4/c1-9(18)12(13(19)20)17-11(14-15-16-17)7-8-21-10-5-3-2-4-6-10/h2-6,9,12,18H,7-8H2,1H3,(H,19,20)
InChIKeyXVUHVHDHSVCLAU-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.30
Rot. Bonds7

About 3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid

3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid (PubChem CID 82225903) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
PubChem CID82225903
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
SMILESCC(O)C(C(=O)O)n1nnnc1CCOc1ccccc1
InChIInChI=1S/C13H16N4O4/c1-9(18)12(13(19)20)17-11(14-15-16-17)7-8-21-10-5-3-2-4-6-10/h2-6,9,12,18H,7-8H2,1H3,(H,19,20)
InChIKeyXVUHVHDHSVCLAU-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 66043635
2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid
CID 66042374
3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 81067843
5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
CID 84759774
2-phenoxyethyl 2-aminopropanoate
CID 61301873
3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol
CID 84759563
2-methyl-3-(2-phenoxyethylamino)butanoic acid
CID 79391971
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid
CID 82226060
(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
CID 55397419
3-methyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 43108787
2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid
CID 66041380

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid (CID 82225903) is 3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid is CC(O)C(C(=O)O)n1nnnc1CCOc1ccccc1.
What is the InChIKey of 3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid?
The InChIKey is XVUHVHDHSVCLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-9(18)12(13(19)20)17-11(14-15-16-17)7-8-21-10-5-3-2-4-6-10/h2-6,9,12,18H,7-8H2,1H3,(H,19,20).
What are the key properties of 3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid?
3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid has a molecular weight of 292.30 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 82225903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).