3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid

C12H14N4O3 — CID 66045094

IUPAC3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1ccc(-c2nnnn2CC(C)C(=O)O)cc1
InChIInChI=1S/C12H14N4O3/c1-8(12(17)18)7-16-11(13-14-15-16)9-3-5-10(19-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyNQMZFXJDJNGJJG-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.07
Rot. Bonds5

About 3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid

3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 66045094) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID66045094
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1ccc(-c2nnnn2CC(C)C(=O)O)cc1
InChIInChI=1S/C12H14N4O3/c1-8(12(17)18)7-16-11(13-14-15-16)9-3-5-10(19-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyNQMZFXJDJNGJJG-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-chlorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047456
3-[5-(3,4-dimethylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047221
2-[5-(4-methoxyphenyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 82225945
3-[5-(2,6-dimethyl-3-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046506
3-[5-(furan-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046032
4-[5-(4-chlorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541235
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 9421908
3-[5-(4-bromo-2-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046757
3-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046518
3-[5-(1-benzofuran-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047223
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
CID 15007346
3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 81262480

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid (CID 66045094) is 3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid is COc1ccc(-c2nnnn2CC(C)C(=O)O)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is NQMZFXJDJNGJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8(12(17)18)7-16-11(13-14-15-16)9-3-5-10(19-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 262.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 66045094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).