2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid

C12H14N4O3 — CID 66041380

IUPAC2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid
SMILESCCOc1ccc(-c2nnnn2C(C)C(=O)O)cc1
InChIInChI=1S/C12H14N4O3/c1-3-19-10-6-4-9(5-7-10)11-13-14-15-16(11)8(2)12(17)18/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyREKQSGWRVYVDDI-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.38
Rot. Bonds5

About 2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid

2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid (PubChem CID 66041380) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid
PubChem CID66041380
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid
SMILESCCOc1ccc(-c2nnnn2C(C)C(=O)O)cc1
InChIInChI=1S/C12H14N4O3/c1-3-19-10-6-4-9(5-7-10)11-13-14-15-16(11)8(2)12(17)18/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyREKQSGWRVYVDDI-UHFFFAOYSA-N
XLogP1.38
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-ethoxyphenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 79789895
2-[5-(4-bromo-3-fluorophenyl)tetrazol-1-yl]propanoic acid
CID 66042578
2-[5-(6-butoxy-1-benzothiophen-2-yl)tetrazol-1-yl]propanoic acid
CID 67906796
2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid
CID 66043585
3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66045094
2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid
CID 66043180
2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid
CID 82226060
(2R)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7561887
2-[5-(4-bromophenyl)tetrazol-1-yl]pentanoic acid
CID 82226038
2-[5-[2-(4-methoxyphenyl)ethyl]tetrazol-1-yl]propanoic acid
CID 66041777
2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid
CID 66120183
2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid
CID 82226192

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid (CID 66041380) is 2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid is CCOc1ccc(-c2nnnn2C(C)C(=O)O)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid?
The InChIKey is REKQSGWRVYVDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-19-10-6-4-9(5-7-10)11-13-14-15-16(11)8(2)12(17)18/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid?
2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid has a molecular weight of 262.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).