3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid

C12H14N4O3 — CID 66040608

IUPAC3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
SMILESCOc1cccc(Cc2nnnn2CCC(=O)O)c1
InChIInChI=1S/C12H14N4O3/c1-19-10-4-2-3-9(7-10)8-11-13-14-15-16(11)6-5-12(17)18/h2-4,7H,5-6,8H2,1H3,(H,17,18)
InChIKeyDLNILLBVCTUWGI-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.75
Rot. Bonds6

About 3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid

3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid (PubChem CID 66040608) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
PubChem CID66040608
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
SMILESCOc1cccc(Cc2nnnn2CCC(=O)O)c1
InChIInChI=1S/C12H14N4O3/c1-19-10-4-2-3-9(7-10)8-11-13-14-15-16(11)6-5-12(17)18/h2-4,7H,5-6,8H2,1H3,(H,17,18)
InChIKeyDLNILLBVCTUWGI-UHFFFAOYSA-N
XLogP0.75
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid
CID 82226252
6-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]hexanoic acid
CID 94970277
ethyl 1-[(3-methoxyphenyl)methyl]tetrazole-5-carboxylate
CID 79317603
2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 107853847
3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid
CID 94970264
3-[2-[(3-methoxyphenyl)methyl]-1H-imidazol-5-yl]propanoic acid
CID 95466644
3-[1-[(3-methoxycarbonylphenyl)methyl]tetrazol-5-yl]propanoic acid
CID 84758853
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
CID 84759774
3-(5-benzyltetrazol-1-yl)propan-1-ol
CID 84759521
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
CID 81067300

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid (CID 66040608) is 3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid is COc1cccc(Cc2nnnn2CCC(=O)O)c1.
What is the InChIKey of 3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid?
The InChIKey is DLNILLBVCTUWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-19-10-4-2-3-9(7-10)8-11-13-14-15-16(11)6-5-12(17)18/h2-4,7H,5-6,8H2,1H3,(H,17,18).
What are the key properties of 3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid?
3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66040608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).